CAS RN: 34944-23-5
CAS Name: 1-benzoyl-3H-indol-2-one
OPENEYE Name: 1-benzoylindolin-2-one
IUPAC Name: 1-benzoyl-3H-indol-2-one
SYSTEMATIC NAME: 1-(phenylcarbonyl)-3H-indol-2-one
MOLECULAR FORMULA: C15H11NO2
MOLECULAR WEIGHT: 237.25334
SMILES: C1C2=CC=CC=C2N(C1=O)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 57989-33-0
CAS Name: 1-[(4-methylphenyl)-oxomethyl]-3H-indol-2-one
OPENEYE Name: 1-(4-methylbenzoyl)indolin-2-one
IUPAC Name: 1-(4-methylbenzoyl)-3H-indol-2-one
SYSTEMATIC NAME: 1-(4-methylphenyl)carbonyl-3H-indol-2-one
MOLECULAR FORMULA: C16H13NO2
MOLECULAR WEIGHT: 251.27992
SMILES: CC1=CC=C(C=C1)C(=O)N2C(=O)CC3=CC=CC=C32
Structure:
CAS RN: 50412-83-4
CAS Name: 2-[[5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)-1H-1,2,4-triazol-3-yl]thio]acetohydrazide
OPENEYE Name: 2-[[5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
IUPAC Name: 2-[[5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
SYSTEMATIC NAME: 2-[[5-(4-methyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanehydrazide
MOLECULAR FORMULA: C7H9N7O3S
MOLECULAR WEIGHT: 271.25646
SMILES: CC1=[N+](ON=C1C2=NC(=NN2)SCC(=O)NN)[O-]
Structure:
CAS RN: 50412-84-5
CAS Name: 2-[[5-(2-hydroxy-4-methyl-1,2,5-oxadiazol-3-ylidene)-1,2,4-triazol-3-yl]thio]acetohydrazide
OPENEYE Name: 2-[[5-(2-hydroxy-4-methyl-1,2,5-oxadiazol-3-ylidene)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
IUPAC Name: 2-[[5-(2-hydroxy-4-methyl-1,2,5-oxadiazol-3-ylidene)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
SYSTEMATIC NAME: 2-[[5-(4-methyl-2-oxidanyl-1,2,5-oxadiazol-3-ylidene)-1,2,4-triazol-3-yl]sulfanyl]ethanehydrazide
MOLECULAR FORMULA: C7H9N7O3S
MOLECULAR WEIGHT: 271.25646
SMILES: CC1=NON(C1=C2N=C(N=N2)SCC(=O)NN)O
Structure:
CAS RN: 50412-82-3
CAS Name: 2-[[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]thio]acetohydrazide
OPENEYE Name: 2-[[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
IUPAC Name: 2-[[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
SYSTEMATIC NAME: 2-[[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanehydrazide
MOLECULAR FORMULA: C7H9N7O2S
MOLECULAR WEIGHT: 255.25706
SMILES: CC1=NON=C1C2=NC(=NN2)SCC(=O)NN
Structure:
CAS RN: 50882-13-8
CAS Name: N,N,4-trimethyl-1,2,5-oxadiazole-3-carboxamide
OPENEYE Name: N,N,4-trimethyl-1,2,5-oxadiazole-3-carboxamide
IUPAC Name: N,N,4-trimethyl-1,2,5-oxadiazole-3-carboxamide
SYSTEMATIC NAME: N,N,4-trimethyl-1,2,5-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C6H9N3O2
MOLECULAR WEIGHT: 155.15456
SMILES: CC1=NON=C1C(=O)N(C)C
Structure:
CAS RN: 50882-11-6
CAS Name: N,N,4-trimethyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide
OPENEYE Name: N,N,4-trimethyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide
IUPAC Name: N,N,4-trimethyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide
SYSTEMATIC NAME: N,N,4-trimethyl-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-carboxamide
MOLECULAR FORMULA: C6H9N3O3
MOLECULAR WEIGHT: 171.15396
SMILES: CC1=NO[N+](=C1C(=O)N(C)C)[O-]
Structure:
CAS RN: 50882-08-1
CAS Name: N,N,4-trimethyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxamide
OPENEYE Name: N,N,4-trimethyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxamide
IUPAC Name: N,N,4-trimethyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxamide
SYSTEMATIC NAME: N,N,4-trimethyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-carboxamide
MOLECULAR FORMULA: C6H9N3O3
MOLECULAR WEIGHT: 171.15396
SMILES: CC1=[N+](ON=C1C(=O)N(C)C)[O-]
Structure:
CAS RN: 37132-22-2
CAS Name: 4-methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxylic acid
OPENEYE Name: 4-methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxylic acid
IUPAC Name: 4-methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxylic acid
SYSTEMATIC NAME: 4-methyl-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-carboxylic acid
MOLECULAR FORMULA: C4H4N2O4
MOLECULAR WEIGHT: 144.08556
SMILES: CC1=NO[N+](=C1C(=O)O)[O-]
Structure:
CAS RN: 37132-21-1
CAS Name: 4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxylic acid
OPENEYE Name: 4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxylic acid
IUPAC Name: 4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxylic acid
SYSTEMATIC NAME: 4-methyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-carboxylic acid
MOLECULAR FORMULA: C4H4N2O4
MOLECULAR WEIGHT: 144.08556
SMILES: CC1=[N+](ON=C1C(=O)O)[O-]
Structure:
CAS RN: 58677-34-2
CAS Name: 4-methyl-1,2,5-oxadiazole-3-carboxylic acid
OPENEYE Name: 4-methyl-1,2,5-oxadiazole-3-carboxylic acid
IUPAC Name: 4-methyl-1,2,5-oxadiazole-3-carboxylic acid
SYSTEMATIC NAME: 4-methyl-1,2,5-oxadiazole-3-carboxylic acid
MOLECULAR FORMULA: C4H4N2O3
MOLECULAR WEIGHT: 128.08616
SMILES: CC1=NON=C1C(=O)O
Structure:
CAS RN: 37895-44-6
CAS Name: 4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxamide
OPENEYE Name: 4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxamide
IUPAC Name: 4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxamide
SYSTEMATIC NAME: 4-methyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-carboxamide
MOLECULAR FORMULA: C4H5N3O3
MOLECULAR WEIGHT: 143.1008
SMILES: CC1=[N+](ON=C1C(=O)N)[O-]
Structure:
CAS RN: 37132-27-7
CAS Name: N-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)carbamate
IUPAC Name: benzyl N-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)carbamate
SYSTEMATIC NAME: (phenylmethyl) N-(4-methyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl)carbamate
MOLECULAR FORMULA: C11H11N3O4
MOLECULAR WEIGHT: 249.22274
SMILES: CC1=[N+](ON=C1NC(=O)OCC2=CC=CC=C2)[O-]
Structure:
CAS RN: 32551-40-9
CAS Name: N-(4-methyl-1,2,5-oxadiazol-3-yl)carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-(4-methyl-1,2,5-oxadiazol-3-yl)carbamate
IUPAC Name: benzyl N-(4-methyl-1,2,5-oxadiazol-3-yl)carbamate
SYSTEMATIC NAME: (phenylmethyl) N-(4-methyl-1,2,5-oxadiazol-3-yl)carbamate
MOLECULAR FORMULA: C11H11N3O3
MOLECULAR WEIGHT: 233.22334
SMILES: CC1=NON=C1NC(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 55898-79-8
CAS Name: 4-(4-morpholinyl)-3H-1,3-benzoxazol-2-one
OPENEYE Name: 4-morpholino-3H-1,3-benzoxazol-2-one
IUPAC Name: 4-morpholin-4-yl-3H-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 4-morpholin-4-yl-3H-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C11H12N2O3
MOLECULAR WEIGHT: 220.22458
SMILES: C1COCCN1C2=C3C(=CC=C2)OC(=O)N3
Structure:
CAS RN: 55898-77-6
CAS Name: N-[2-hydroxy-6-(4-morpholinyl)phenyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-(2-hydroxy-6-morpholino-phenyl)carbamate
IUPAC Name: ethyl N-(2-hydroxy-6-morpholin-4-ylphenyl)carbamate
SYSTEMATIC NAME: ethyl N-(2-morpholin-4-yl-6-oxidanyl-phenyl)carbamate
MOLECULAR FORMULA: C13H18N2O4
MOLECULAR WEIGHT: 266.29302
SMILES: CCOC(=O)NC1=C(C=CC=C1O)N2CCOCC2
Structure:
CAS RN: 38493-75-3
CAS Name: 2-[hydroxy-[(4-methylanilino)-oxomethyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 2-[hydroxy(p-tolylcarbamoyl)amino]benzoate
IUPAC Name: ethyl 2-[hydroxy-[(4-methylphenyl)carbamoyl]amino]benzoate
SYSTEMATIC NAME: ethyl 2-[(4-methylphenyl)carbamoyl-oxidanyl-amino]benzoate
MOLECULAR FORMULA: C17H18N2O4
MOLECULAR WEIGHT: 314.33582
SMILES: CCOC(=O)C1=CC=CC=C1N(C(=O)NC2=CC=C(C=C2)C)O
Structure:
CAS RN: 38493-73-1
CAS Name: 2-[[(4-chloroanilino)-oxomethyl]-hydroxyamino]benzoic acid ethyl ester
OPENEYE Name: ethyl 2-[(4-chlorophenyl)carbamoyl-hydroxy-amino]benzoate
IUPAC Name: ethyl 2-[(4-chlorophenyl)carbamoyl-hydroxyamino]benzoate
SYSTEMATIC NAME: ethyl 2-[(4-chlorophenyl)carbamoyl-oxidanyl-amino]benzoate
MOLECULAR FORMULA: C16H15ClN2O4
MOLECULAR WEIGHT: 334.7543
SMILES: CCOC(=O)C1=CC=CC=C1N(C(=O)NC2=CC=C(C=C2)Cl)O
Structure:
CAS RN: 38493-70-8
CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-hydroxyamino]benzoic acid ethyl ester
OPENEYE Name: ethyl 2-[1-adamantylcarbamoyl(hydroxy)amino]benzoate
IUPAC Name: ethyl 2-[1-adamantylcarbamoyl(hydroxy)amino]benzoate
SYSTEMATIC NAME: ethyl 2-[1-adamantylcarbamoyl(oxidanyl)amino]benzoate
MOLECULAR FORMULA: C20H26N2O4
MOLECULAR WEIGHT: 358.43144
SMILES: CCOC(=O)C1=CC=CC=C1N(C(=O)NC23CC4CC(C2)CC(C4)C3)O
Structure:
CAS RN: 4486-59-3
CAS Name: octa-2,6-diene-4,5-diol
OPENEYE Name: octa-2,6-diene-4,5-diol
IUPAC Name: octa-2,6-diene-4,5-diol
SYSTEMATIC NAME: octa-2,6-diene-4,5-diol
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: CC=CC(C(C=CC)O)O
Structure:
CAS RN: 70452-29-8
CAS Name: 3-hydroxy-3-[2-(1H-indol-3-yl)-2-oxoethyl]-1H-indol-2-one
OPENEYE Name: 3-hydroxy-3-[2-(1H-indol-3-yl)-2-oxo-ethyl]indolin-2-one
IUPAC Name: 3-hydroxy-3-[2-(1H-indol-3-yl)-2-oxoethyl]-1H-indol-2-one
SYSTEMATIC NAME: 3-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]-3-oxidanyl-1H-indol-2-one
MOLECULAR FORMULA: C18H14N2O3
MOLECULAR WEIGHT: 306.31536
SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)CC3(C4=CC=CC=C4NC3=O)O
Structure:
CAS RN: 76325-79-6
CAS Name: 3-hydroxy-3-(2-oxocyclohexyl)-1H-indol-2-one
OPENEYE Name: 3-hydroxy-3-(2-oxocyclohexyl)indolin-2-one
IUPAC Name: 3-hydroxy-3-(2-oxocyclohexyl)-1H-indol-2-one
SYSTEMATIC NAME: 3-oxidanyl-3-(2-oxidanylidenecyclohexyl)-1H-indol-2-one
MOLECULAR FORMULA: C14H15NO3
MOLECULAR WEIGHT: 245.2738
SMILES: C1CCC(=O)C(C1)C2(C3=CC=CC=C3NC2=O)O
Structure:
CAS RN: 67455-78-1
CAS Name: 3-ethyl-9,10-dimethoxyspiro[1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-2,2'-oxirane]
OPENEYE Name: 3-ethyl-9,10-dimethoxy-spiro[1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-2,2'-oxirane]
IUPAC Name: 3-ethyl-9,10-dimethoxyspiro[1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-2,2'-oxirane]
SYSTEMATIC NAME: 3-ethyl-9,10-dimethoxy-spiro[1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-2,2'-oxirane]
MOLECULAR FORMULA: C18H25NO3
MOLECULAR WEIGHT: 303.396
SMILES: CCC1CN2CCC3=CC(=C(C=C3C2CC14CO4)OC)OC
Structure:
CAS RN: 39875-11-1
CAS Name: 5-methyl-4-oxo-2-(3,3,3-trichloro-2-hydroxypropyl)-1H-pyrimidine-6-carboxylic acid
OPENEYE Name: 5-methyl-4-oxo-2-(3,3,3-trichloro-2-hydroxy-propyl)-1H-pyrimidine-6-carboxylic acid
IUPAC Name: 5-methyl-4-oxo-2-(3,3,3-trichloro-2-hydroxypropyl)-1H-pyrimidine-6-carboxylic acid
SYSTEMATIC NAME: 5-methyl-4-oxidanylidene-2-[3,3,3-tris(chloranyl)-2-oxidanyl-propyl]-1H-pyrimidine-6-carboxylic acid
MOLECULAR FORMULA: C9H9Cl3N2O4
MOLECULAR WEIGHT: 315.53776
SMILES: CC1=C(NC(=NC1=O)CC(C(Cl)(Cl)Cl)O)C(=O)O
Structure:
CAS RN: 18671-89-1
CAS Name: 2-(4-chlorophenoxy)propanoic acid ethyl ester
OPENEYE Name: ethyl 2-(4-chlorophenoxy)propanoate
IUPAC Name: ethyl 2-(4-chlorophenoxy)propanoate
SYSTEMATIC NAME: ethyl 2-(4-chloranylphenoxy)propanoate
MOLECULAR FORMULA: C11H13ClO3
MOLECULAR WEIGHT: 228.67212
SMILES: CCOC(=O)C(C)OC1=CC=C(C=C1)Cl
Structure:
CAS RN: 10168-58-8
CAS Name: 4-bromo-3-methyl-1-oxidopyridin-1-ium
OPENEYE Name: 4-bromo-3-methyl-1-oxido-pyridin-1-ium
IUPAC Name: 4-bromo-3-methyl-1-oxidopyridin-1-ium
SYSTEMATIC NAME: 4-bromanyl-3-methyl-1-oxidanidyl-pyridin-1-ium
MOLECULAR FORMULA: C6H6BrNO
MOLECULAR WEIGHT: 188.02194
SMILES: CC1=C(C=C[N+](=C1)[O-])Br
Structure:
CAS RN: 35096-40-3
CAS Name: 2-benzoyl-6,7-dimethoxy-1H-isoquinoline-1-carbonitrile
OPENEYE Name: 2-benzoyl-6,7-dimethoxy-1H-isoquinoline-1-carbonitrile
IUPAC Name: 2-benzoyl-6,7-dimethoxy-1H-isoquinoline-1-carbonitrile
SYSTEMATIC NAME: 6,7-dimethoxy-2-(phenylcarbonyl)-1H-isoquinoline-1-carbonitrile
MOLECULAR FORMULA: C19H16N2O3
MOLECULAR WEIGHT: 320.34194
SMILES: COC1=C(C=C2C(N(C=CC2=C1)C(=O)C3=CC=CC=C3)C#N)OC
Structure:
CAS RN: 57999-00-5
CAS Name: benzoic acid [4-benzoyloxy-6,7-bis(bromomethyl)-5,8-dioxo-1-naphthalenyl] ester
OPENEYE Name: [4-benzoyloxy-6,7-bis(bromomethyl)-5,8-dioxo-1-naphthyl] benzoate
IUPAC Name: [4-benzoyloxy-6,7-bis(bromomethyl)-5,8-dioxonaphthalen-1-yl] benzoate
SYSTEMATIC NAME: [6,7-bis(bromomethyl)-5,8-bis(oxidanylidene)-4-(phenylcarbonyloxy)naphthalen-1-yl] benzoate
MOLECULAR FORMULA: C26H16Br2O6
MOLECULAR WEIGHT: 584.20964
SMILES: C1=CC=C(C=C1)C(=O)OC2=C3C(=C(C=C2)OC(=O)C4=CC=CC=C4)C(=O)C(=C(C3=O)CBr)CBr
Structure:
CAS RN: 54882-42-7
CAS Name: 2,2,3,4,4-pentamethyl-1-oxo-1$l^{5}-phosphetan-1-amine
OPENEYE Name: 2,2,3,4,4-pentamethyl-1-oxo-1$l^{5}-phosphetan-1-amine
IUPAC Name: 2,2,3,4,4-pentamethyl-1-oxo-1$l^{5}-phosphetan-1-amine
SYSTEMATIC NAME: 2,2,3,4,4-pentamethyl-1-oxidanylidene-1$l^{5}-phosphetan-1-amine
MOLECULAR FORMULA: C8H18NOP
MOLECULAR WEIGHT: 175.208381
SMILES: CC1C(P(=O)(C1(C)C)N)(C)C
Structure:
CAS RN: 77508-99-7
CAS Name: 2,2,3,4,4-pentamethyl-1-(phenylmethylthio)-1$l^{5}-phosphetane 1-oxide
OPENEYE Name: 1-benzylsulfanyl-2,2,3,4,4-pentamethyl-1$l^{5}-phosphetane 1-oxide
IUPAC Name: 1-benzylsulfanyl-2,2,3,4,4-pentamethyl-1$l^{5}-phosphetane 1-oxide
SYSTEMATIC NAME: 2,2,3,4,4-pentamethyl-1-(phenylmethylsulfanyl)-1$l^{5}-phosphetane 1-oxide
MOLECULAR FORMULA: C15H23OPS
MOLECULAR WEIGHT: 282.381281
SMILES: CC1C(P(=O)(C1(C)C)SCC2=CC=CC=C2)(C)C
Structure:
CAS RN: 24765-61-5
CAS Name: 2,2,3,4,4-pentamethyl-1-phenyl-1$l^{5}-phosphetane 1-oxide
OPENEYE Name: 2,2,3,4,4-pentamethyl-1-phenyl-1$l^{5}-phosphetane 1-oxide
IUPAC Name: 2,2,3,4,4-pentamethyl-1-phenyl-1$l^{5}-phosphetane 1-oxide
SYSTEMATIC NAME: 2,2,3,4,4-pentamethyl-1-phenyl-1$l^{5}-phosphetane 1-oxide
MOLECULAR FORMULA: C14H21OP
MOLECULAR WEIGHT: 236.289701
SMILES: CC1C(P(=O)(C1(C)C)C2=CC=CC=C2)(C)C
Structure:
CAS RN: 58511-94-7
CAS Name: 2,3-dimethoxy-5-(2-naphthalenylthio)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,3-dimethoxy-5-(2-naphthylsulfanyl)-1,4-benzoquinone
IUPAC Name: 2,3-dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,3-dimethoxy-5-naphthalen-2-ylsulfanyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C18H14O4S
MOLECULAR WEIGHT: 326.36636
SMILES: COC1=C(C(=O)C(=CC1=O)SC2=CC3=CC=CC=C3C=C2)OC
Structure:
CAS RN: 57742-00-4
CAS Name: acetic acid [4,5-diacetyloxy-6-[[[[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]thio]-[[1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]imino]methyl]amino]-3-oxanyl] ester
OPENEYE Name: [4,5-diacetoxy-6-[[C-[benzyloxycarbonyl(benzyloxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]tetrahydropyran-3-yl] acetate
IUPAC Name: [4,5-diacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-3-yl] acetate
SYSTEMATIC NAME: [4,5-diacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-3-yl] ethanoate
MOLECULAR FORMULA: C48H52N4O15S2
MOLECULAR WEIGHT: 989.07428
SMILES: CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NC(=NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC)SN(C(=O)OCC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6
Structure:
CAS RN: 57741-99-8
CAS Name: acetic acid [3,4,5-triacetyloxy-6-[[[[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]thio]-[[1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]imino]methyl]amino]-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-triacetoxy-6-[[C-[benzyloxycarbonyl(benzyloxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C51H56N4O17S2
MOLECULAR WEIGHT: 1061.13694
SMILES: CC(=O)OCC1C(C(C(C(O1)NC(=NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC)SN(C(=O)OCC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 68044-77-9
CAS Name: 2-[5-amino-7-(2-propan-2-ylidenehydrazinyl)-3-imidazo[4,5-b]pyridinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-[5-amino-7-(2-isopropylidenehydrazino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-[5-amino-7-(2-propan-2-ylidenehydrazinyl)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-[5-azanyl-7-(2-propan-2-ylidenehydrazinyl)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C14H20N6O4
MOLECULAR WEIGHT: 336.3464
SMILES: CC(=NNC1=CC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N)C
Structure:
CAS RN: 22219-66-5
CAS Name: 4,4-dimethyl-3'-phenyl-1-spiro[3H-naphthalene-2,2'-oxirane]one
OPENEYE Name: 4',4'-dimethyl-3-phenyl-spiro[oxirane-2,2'-tetralin]-1'-one
IUPAC Name: 4,4-dimethyl-3'-phenylspiro[3H-naphthalene-2,2'-oxirane]-1-one
SYSTEMATIC NAME: 4,4-dimethyl-3'-phenyl-spiro[3H-naphthalene-2,2'-oxirane]-1-one
MOLECULAR FORMULA: C19H18O2
MOLECULAR WEIGHT: 278.34502
SMILES: CC1(CC2(C(O2)C3=CC=CC=C3)C(=O)C4=CC=CC=C41)C
Structure:
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