CAS RN: 71648-37-8
CAS Name: acetic acid 2,6,8-trimethylnonan-4-yl ester
OPENEYE Name: (1-isobutyl-3,5-dimethyl-hexyl) acetate
IUPAC Name: 2,6,8-trimethylnonan-4-yl acetate
SYSTEMATIC NAME: 2,6,8-trimethylnonan-4-yl ethanoate
MOLECULAR FORMULA: C14H28O2
MOLECULAR WEIGHT: 228.37092
SMILES: CC(C)CC(C)CC(CC(C)C)OC(=O)C
Structure:
CAS RN: 71648-36-7
CAS Name: 2-phenylacetic acid 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl ester
OPENEYE Name: [1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl] 2-phenylacetate
IUPAC Name: 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-phenylacetate
SYSTEMATIC NAME: 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-phenylethanoate
MOLECULAR FORMULA: C18H24O2
MOLECULAR WEIGHT: 272.38196
SMILES: CC1=CCC(CC1)C(C)(C)OC(=O)CC2=CC=CC=C2
Structure:
CAS RN: 71648-35-6
CAS Name: octanoic acid 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl ester
OPENEYE Name: [1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl] octanoate
IUPAC Name: 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl octanoate
SYSTEMATIC NAME: 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl octanoate
MOLECULAR FORMULA: C18H32O2
MOLECULAR WEIGHT: 280.44548
SMILES: CCCCCCCC(=O)OC(C)(C)C1CCC(=CC1)C
Structure:
CAS RN: 71617-12-4
CAS Name: 3-phenylpropanoic acid 3,7-dimethylocta-1,6-dien-3-yl ester
OPENEYE Name: (1,5-dimethyl-1-vinyl-hex-4-enyl) 3-phenylpropanoate
IUPAC Name: 3,7-dimethylocta-1,6-dien-3-yl 3-phenylpropanoate
SYSTEMATIC NAME: 3,7-dimethylocta-1,6-dien-3-yl 3-phenylpropanoate
MOLECULAR FORMULA: C19H26O2
MOLECULAR WEIGHT: 286.40854
SMILES: CC(=CCCC(C)(C=C)OC(=O)CCC1=CC=CC=C1)C
Structure:
CAS RN: 71617-11-3
CAS Name: heptanoic acid 3,7-dimethylocta-1,6-dien-3-yl ester
OPENEYE Name: (1,5-dimethyl-1-vinyl-hex-4-enyl) heptanoate
IUPAC Name: 3,7-dimethylocta-1,6-dien-3-yl heptanoate
SYSTEMATIC NAME: 3,7-dimethylocta-1,6-dien-3-yl heptanoate
MOLECULAR FORMULA: C17H30O2
MOLECULAR WEIGHT: 266.4189
SMILES: CCCCCCC(=O)OC(C)(CCC=C(C)C)C=C
Structure:
CAS RN: 71501-49-0
CAS Name: 2-chloropyrimidin-1-ium chloride
OPENEYE Name: 2-chloropyrimidin-1-ium chloride
IUPAC Name: 2-chloropyrimidin-1-ium chloride
SYSTEMATIC NAME: 2-chloranylpyrimidin-1-ium chloride
MOLECULAR FORMULA: C4H4Cl2N2
MOLECULAR WEIGHT: 150.99396
SMILES: C1=CN=C([NH+]=C1)Cl.[Cl-]
Structure:
CAS RN: 71486-50-5
CAS Name: carbonic acid ethyl (3-oxo-2-phenyl-1-pyrazolyl) ester
OPENEYE Name: ethyl (3-oxo-2-phenyl-pyrazol-1-yl) carbonate
IUPAC Name: ethyl (3-oxo-2-phenylpyrazol-1-yl) carbonate
SYSTEMATIC NAME: ethyl (3-oxidanylidene-2-phenyl-pyrazol-1-yl) carbonate
MOLECULAR FORMULA: C12H12N2O4
MOLECULAR WEIGHT: 248.23468
SMILES: CCOC(=O)ON1C=CC(=O)N1C2=CC=CC=C2
Structure:
CAS RN: 71427-58-2
CAS Name: N-(3-isocyanato-4-methylphenyl)carbamic acid dodecyl ester
OPENEYE Name: dodecyl N-(3-isocyanato-4-methyl-phenyl)carbamate
IUPAC Name: dodecyl N-(3-isocyanato-4-methylphenyl)carbamate
SYSTEMATIC NAME: dodecyl N-(3-isocyanato-4-methyl-phenyl)carbamate
MOLECULAR FORMULA: C21H32N2O3
MOLECULAR WEIGHT: 360.49038
SMILES: CCCCCCCCCCCCOC(=O)NC1=CC(=C(C=C1)C)N=C=O
Structure:
CAS RN: 71412-11-8
CAS Name: 1-amino-2-tetradecanone
OPENEYE Name: 1-aminotetradecan-2-one
IUPAC Name: 1-aminotetradecan-2-one
SYSTEMATIC NAME: 1-azanyltetradecan-2-one
MOLECULAR FORMULA: C14H29NO
MOLECULAR WEIGHT: 227.38616
SMILES: CCCCCCCCCCCCC(=O)CN
Structure:
CAS RN: 71400-22-1
CAS Name: (Z)-9-octadecenoic acid [2-hydroxy-3-(2-hydroxy-1-oxopropoxy)propyl] ester
OPENEYE Name: [2-hydroxy-3-(2-hydroxypropanoyloxy)propyl] (Z)-octadec-9-enoate
IUPAC Name: [2-hydroxy-3-(2-hydroxypropanoyloxy)propyl] (Z)-octadec-9-enoate
SYSTEMATIC NAME: [2-oxidanyl-3-(2-oxidanylpropanoyloxy)propyl] (Z)-octadec-9-enoate
MOLECULAR FORMULA: C24H44O6
MOLECULAR WEIGHT: 428.60256
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)C(C)O)O
Structure:
CAS RN: 71230-76-7
CAS Name: 4-(dimethylamino)-2,5-dimethoxybenzenediazonium hexafluorophosphate
OPENEYE Name: 4-(dimethylamino)-2,5-dimethoxy-benzenediazonium hexafluorophosphate
IUPAC Name: 4-(dimethylamino)-2,5-dimethoxybenzenediazonium hexafluorophosphate
SYSTEMATIC NAME: 4-(dimethylamino)-2,5-dimethoxy-benzenediazonium hexafluorophosphate
MOLECULAR FORMULA: C10H14F6N3O2P
MOLECULAR WEIGHT: 353.20124
SMILES: CN(C)C1=C(C=C(C(=C1)OC)[N+]#N)OC.F[P-](F)(F)(F)(F)F
Structure:
CAS RN: 71002-34-1
CAS Name: 2-[3-ethyl-2-[(E)-heptadec-8-enyl]-1-imidazol-1-iumyl]ethanol; ethyl sulfate
OPENEYE Name: 2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazol-1-ium-1-yl]ethanol; ethyl sulfate
IUPAC Name: 2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazol-1-ium-1-yl]ethanol; ethyl sulfate
SYSTEMATIC NAME: 2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazol-1-ium-1-yl]ethanol; ethyl sulfate
MOLECULAR FORMULA: C26H50N2O5S
MOLECULAR WEIGHT: 502.7506
SMILES: CCCCCCCC/C=C/CCCCCCCC1=[N+](C=CN1CC)CCO.CCOS(=O)(=O)[O-]
Structure:
CAS RN: 70546-12-2
CAS Name: 3-(5-chloro-1,3-benzoxazol-2-yl)-7-(diethylamino)-2-oxo-1-benzopyran-4-carbonitrile
OPENEYE Name: 3-(5-chloro-1,3-benzoxazol-2-yl)-7-(diethylamino)-2-oxo-chromene-4-carbonitrile
IUPAC Name: 3-(5-chloro-1,3-benzoxazol-2-yl)-7-(diethylamino)-2-oxochromene-4-carbonitrile
SYSTEMATIC NAME: 3-(5-chloranyl-1,3-benzoxazol-2-yl)-7-(diethylamino)-2-oxidanylidene-chromene-4-carbonitrile
MOLECULAR FORMULA: C21H16ClN3O3
MOLECULAR WEIGHT: 393.82304
SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=NC4=C(O3)C=CC(=C4)Cl)C#N
Structure:
CAS RN: 70136-27-5
CAS Name: N-hexyl-N-[2-(hexylamino)ethyl]carbamic acid methyl ester
OPENEYE Name: methyl N-hexyl-N-[2-(hexylamino)ethyl]carbamate
IUPAC Name: methyl N-hexyl-N-[2-(hexylamino)ethyl]carbamate
SYSTEMATIC NAME: methyl N-hexyl-N-[2-(hexylamino)ethyl]carbamate
MOLECULAR FORMULA: C16H34N2O2
MOLECULAR WEIGHT: 286.45336
SMILES: CCCCCCNCCN(CCCCCC)C(=O)OC
Structure:
CAS RN: 69965-44-2
CAS Name: 3-[2-methyl-3-[4-(phenylthio)phenyl]propyl]-1H-imidazol-3-ium chloride
OPENEYE Name: 3-[2-methyl-3-(4-phenylsulfanylphenyl)propyl]-1H-imidazol-3-ium chloride
IUPAC Name: 3-[2-methyl-3-(4-phenylsulfanylphenyl)propyl]-1H-imidazol-3-ium chloride
SYSTEMATIC NAME: 3-[2-methyl-3-(4-phenylsulfanylphenyl)propyl]-1H-imidazol-3-ium chloride
MOLECULAR FORMULA: C19H21ClN2S
MOLECULAR WEIGHT: 344.90144
SMILES: CC(CC1=CC=C(C=C1)SC2=CC=CC=C2)C[N+]3=CNC=C3.[Cl-]
Structure:
CAS RN: 69756-31-6
CAS Name: 4-[ethyl(2-hydroxyethyl)amino]benzenediazonium tetrafluoroborate
OPENEYE Name: 4-[ethyl(2-hydroxyethyl)amino]benzenediazonium tetrafluoroborate
IUPAC Name: 4-[ethyl(2-hydroxyethyl)amino]benzenediazonium tetrafluoroborate
SYSTEMATIC NAME: 4-[ethyl(2-hydroxyethyl)amino]benzenediazonium tetrafluoroborate
MOLECULAR FORMULA: C10H14BF4N3O
MOLECULAR WEIGHT: 279.042273
SMILES: [B-](F)(F)(F)F.CCN(CCO)C1=CC=C(C=C1)[N+]#N
Structure:
CAS RN: 69343-05-1
CAS Name: N-[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline iodide
OPENEYE Name: N-[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)vinyl]aniline iodide
IUPAC Name: N-[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline iodide
SYSTEMATIC NAME: N-[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline iodide
MOLECULAR FORMULA: C14H19IN2
MOLECULAR WEIGHT: 342.21853
SMILES: CC[N+]1=C(CCC1)/C=C/NC2=CC=CC=C2.[I-]
Structure:
CAS RN: 69075-62-3
CAS Name: 3-(dodecylthio)propanoic acid [2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)thio]-5-methylphenyl] ester
OPENEYE Name: [2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methyl-phenyl)sulfanyl-5-methyl-phenyl] 3-dodecylsulfanylpropanoate
IUPAC Name: [2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenyl] 3-dodecylsulfanylpropanoate
SYSTEMATIC NAME: [2-tert-butyl-4-(5-tert-butyl-2-methyl-4-oxidanyl-phenyl)sulfanyl-5-methyl-phenyl] 3-dodecylsulfanylpropanoate
MOLECULAR FORMULA: C37H58O3S2
MOLECULAR WEIGHT: 614.98462
SMILES: CCCCCCCCCCCCSCCC(=O)OC1=C(C=C(C(=C1)C)SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C
Structure:
CAS RN: 68808-55-9
CAS Name: 1,5-dihydroxy-4-nitro-8-(propan-2-ylamino)anthracene-9,10-dione
OPENEYE Name: 1,5-dihydroxy-4-(isopropylamino)-8-nitro-anthracene-9,10-dione
IUPAC Name: 1,5-dihydroxy-4-nitro-8-(propan-2-ylamino)anthracene-9,10-dione
SYSTEMATIC NAME: 1-nitro-4,8-bis(oxidanyl)-5-(propan-2-ylamino)anthracene-9,10-dione
MOLECULAR FORMULA: C17H14N2O6
MOLECULAR WEIGHT: 342.30286
SMILES: CC(C)NC1=C2C(=C(C=C1)O)C(=O)C3=C(C=CC(=C3C2=O)O)[N+](=O)[O-]
Structure:
CAS RN: 68437-03-6
CAS Name: 1,8-dihydroxy-2,3-dinitroanthracene-9,10-dione
OPENEYE Name: 1,8-dihydroxy-2,3-dinitro-anthracene-9,10-dione
IUPAC Name: 1,8-dihydroxy-2,3-dinitroanthracene-9,10-dione
SYSTEMATIC NAME: 2,3-dinitro-1,8-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C14H6N2O8
MOLECULAR WEIGHT: 330.20604
SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C(=C(C=C3C2=O)[N+](=O)[O-])[N+](=O)[O-])O
Structure:
CAS RN: 68303-38-8
CAS Name: [amino(ethoxy)methylidene]ammonium; hydrogen sulfate
OPENEYE Name: [amino(ethoxy)methylene]ammonium; hydrogen sulfate
IUPAC Name: [amino(ethoxy)methylidene]azanium; hydrogen sulfate
SYSTEMATIC NAME: [azanyl(ethoxy)methylidene]azanium; hydrogen sulfate
MOLECULAR FORMULA: C3H10N2O5S
MOLECULAR WEIGHT: 186.1869
SMILES: CCOC(=[NH2+])N.OS(=O)(=O)[O-]
Structure:
CAS RN: 68268-44-0
CAS Name: N-(2,1-benzothiazol-3-yl)-3-chloro-N-(2-methylpropyl)propanamide
OPENEYE Name: N-(2,1-benzothiazol-3-yl)-3-chloro-N-isobutyl-propanamide
IUPAC Name: N-(2,1-benzothiazol-3-yl)-3-chloro-N-(2-methylpropyl)propanamide
SYSTEMATIC NAME: N-(2,1-benzothiazol-3-yl)-3-chloranyl-N-(2-methylpropyl)propanamide
MOLECULAR FORMULA: C14H17ClN2OS
MOLECULAR WEIGHT: 296.81558
SMILES: CC(C)CN(C1=C2C=CC=CC2=NS1)C(=O)CCCl
Structure:
CAS RN: 68268-20-2
CAS Name: N-(2,1-benzothiazol-3-yl)-3-chloro-N-propylpropanamide
OPENEYE Name: N-(2,1-benzothiazol-3-yl)-3-chloro-N-propyl-propanamide
IUPAC Name: N-(2,1-benzothiazol-3-yl)-3-chloro-N-propylpropanamide
SYSTEMATIC NAME: N-(2,1-benzothiazol-3-yl)-3-chloranyl-N-propyl-propanamide
MOLECULAR FORMULA: C13H15ClN2OS
MOLECULAR WEIGHT: 282.789
SMILES: CCCN(C1=C2C=CC=CC2=NS1)C(=O)CCCl
Structure:
CAS RN: 68268-12-2
CAS Name: N-(2,1-benzothiazol-3-yl)-4-chloro-N-ethylbutanamide
OPENEYE Name: N-(2,1-benzothiazol-3-yl)-4-chloro-N-ethyl-butanamide
IUPAC Name: N-(2,1-benzothiazol-3-yl)-4-chloro-N-ethylbutanamide
SYSTEMATIC NAME: N-(2,1-benzothiazol-3-yl)-4-chloranyl-N-ethyl-butanamide
MOLECULAR FORMULA: C13H15ClN2OS
MOLECULAR WEIGHT: 282.789
SMILES: CCN(C1=C2C=CC=CC2=NS1)C(=O)CCCCl
Structure:
CAS RN: 68268-00-8
CAS Name: N-(2,1-benzothiazol-3-yl)-4-chloro-N-methylbutanamide
OPENEYE Name: N-(2,1-benzothiazol-3-yl)-4-chloro-N-methyl-butanamide
IUPAC Name: N-(2,1-benzothiazol-3-yl)-4-chloro-N-methylbutanamide
SYSTEMATIC NAME: N-(2,1-benzothiazol-3-yl)-4-chloranyl-N-methyl-butanamide
MOLECULAR FORMULA: C12H13ClN2OS
MOLECULAR WEIGHT: 268.76242
SMILES: CN(C1=C2C=CC=CC2=NS1)C(=O)CCCCl
Structure:
CAS RN: 68267-98-1
CAS Name: N-(2,1-benzothiazol-3-yl)-2-chloro-N-methylacetamide
OPENEYE Name: N-(2,1-benzothiazol-3-yl)-2-chloro-N-methyl-acetamide
IUPAC Name: N-(2,1-benzothiazol-3-yl)-2-chloro-N-methylacetamide
SYSTEMATIC NAME: N-(2,1-benzothiazol-3-yl)-2-chloranyl-N-methyl-ethanamide
MOLECULAR FORMULA: C10H9ClN2OS
MOLECULAR WEIGHT: 240.70926
SMILES: CN(C1=C2C=CC=CC2=NS1)C(=O)CCl
Structure:
CAS RN: 67019-41-4
CAS Name: 4-nitro-N-[1-[(4-nitrophenyl)-oxomethyl]-2,1-benzothiazol-3-ylidene]benzamide
OPENEYE Name: 4-nitro-N-[1-(4-nitrobenzoyl)-2,1-benzothiazol-3-ylidene]benzamide
IUPAC Name: 4-nitro-N-[1-(4-nitrobenzoyl)-2,1-benzothiazol-3-ylidene]benzamide
SYSTEMATIC NAME: 4-nitro-N-[1-(4-nitrophenyl)carbonyl-2,1-benzothiazol-3-ylidene]benzamide
MOLECULAR FORMULA: C21H12N4O6S
MOLECULAR WEIGHT: 448.40818
SMILES: C1=CC=C2C(=C1)C(=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SN2C(=O)C4=CC=C(C=C4)[N+](=O)[O-]
Structure:
CAS RN: 67019-32-3
CAS Name: N-(5,7-dichloro-2,1-benzothiazol-3-yl)acetamide
OPENEYE Name: N-(5,7-dichloro-2,1-benzothiazol-3-yl)acetamide
IUPAC Name: N-(5,7-dichloro-2,1-benzothiazol-3-yl)acetamide
SYSTEMATIC NAME: N-[5,7-bis(chloranyl)-2,1-benzothiazol-3-yl]ethanamide
MOLECULAR FORMULA: C9H6Cl2N2OS
MOLECULAR WEIGHT: 261.12774
SMILES: CC(=O)NC1=C2C=C(C=C(C2=NS1)Cl)Cl
Structure:
CAS RN: 67019-30-1
CAS Name: N-(2,1-benzothiazol-3-yl)-N-methylacetamide
OPENEYE Name: N-(2,1-benzothiazol-3-yl)-N-methyl-acetamide
IUPAC Name: N-(2,1-benzothiazol-3-yl)-N-methylacetamide
SYSTEMATIC NAME: N-(2,1-benzothiazol-3-yl)-N-methyl-ethanamide
MOLECULAR FORMULA: C10H10N2OS
MOLECULAR WEIGHT: 206.2642
SMILES: CC(=O)N(C)C1=C2C=CC=CC2=NS1
Structure:
CAS RN: 67019-29-8
CAS Name: 1-(2,1-benzothiazol-3-yl)-3-phenylurea
OPENEYE Name: 1-(2,1-benzothiazol-3-yl)-3-phenyl-urea
IUPAC Name: 1-(2,1-benzothiazol-3-yl)-3-phenylurea
SYSTEMATIC NAME: 1-(2,1-benzothiazol-3-yl)-3-phenyl-urea
MOLECULAR FORMULA: C14H11N3OS
MOLECULAR WEIGHT: 269.32164
SMILES: C1=CC=C(C=C1)NC(=O)NC2=C3C=CC=CC3=NS2
Structure:
CAS RN: 67019-28-7
CAS Name: N-(2,1-benzothiazol-3-yl)benzamide
OPENEYE Name: N-(2,1-benzothiazol-3-yl)benzamide
IUPAC Name: N-(2,1-benzothiazol-3-yl)benzamide
SYSTEMATIC NAME: N-(2,1-benzothiazol-3-yl)benzamide
MOLECULAR FORMULA: C14H10N2OS
MOLECULAR WEIGHT: 254.307
SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C=CC=CC3=NS2
Structure:
CAS RN: 67019-26-5
CAS Name: N-(2,1-benzothiazol-3-yl)octanamide
OPENEYE Name: N-(2,1-benzothiazol-3-yl)octanamide
IUPAC Name: N-(2,1-benzothiazol-3-yl)octanamide
SYSTEMATIC NAME: N-(2,1-benzothiazol-3-yl)octanamide
MOLECULAR FORMULA: C15H20N2OS
MOLECULAR WEIGHT: 276.3971
SMILES: CCCCCCCC(=O)NC1=C2C=CC=CC2=NS1
Structure:
CAS RN: 67019-24-3
CAS Name: N-(2,1-benzothiazol-3-yl)-3-methylbutanamide
OPENEYE Name: N-(2,1-benzothiazol-3-yl)-3-methyl-butanamide
IUPAC Name: N-(2,1-benzothiazol-3-yl)-3-methylbutanamide
SYSTEMATIC NAME: N-(2,1-benzothiazol-3-yl)-3-methyl-butanamide
MOLECULAR FORMULA: C12H14N2OS
MOLECULAR WEIGHT: 234.31736
SMILES: CC(C)CC(=O)NC1=C2C=CC=CC2=NS1
Structure:
CAS RN: 67019-22-1
CAS Name: N-(2,1-benzothiazol-3-yl)-2-methylpropanamide
OPENEYE Name: N-(2,1-benzothiazol-3-yl)-2-methyl-propanamide
IUPAC Name: N-(2,1-benzothiazol-3-yl)-2-methylpropanamide
SYSTEMATIC NAME: N-(2,1-benzothiazol-3-yl)-2-methyl-propanamide
MOLECULAR FORMULA: C11H12N2OS
MOLECULAR WEIGHT: 220.29078
SMILES: CC(C)C(=O)NC1=C2C=CC=CC2=NS1
Structure:
CAS RN: 67019-21-0
CAS Name: N-(2,1-benzothiazol-3-yl)butanamide
OPENEYE Name: N-(2,1-benzothiazol-3-yl)butanamide
IUPAC Name: N-(2,1-benzothiazol-3-yl)butanamide
SYSTEMATIC NAME: N-(2,1-benzothiazol-3-yl)butanamide
MOLECULAR FORMULA: C11H12N2OS
MOLECULAR WEIGHT: 220.29078
SMILES: CCCC(=O)NC1=C2C=CC=CC2=NS1
Structure:
CAS RN: 67019-20-9
CAS Name: N-(2,1-benzothiazol-3-yl)propanamide
OPENEYE Name: N-(2,1-benzothiazol-3-yl)propanamide
IUPAC Name: N-(2,1-benzothiazol-3-yl)propanamide
SYSTEMATIC NAME: N-(2,1-benzothiazol-3-yl)propanamide
MOLECULAR FORMULA: C10H10N2OS
MOLECULAR WEIGHT: 206.2642
SMILES: CCC(=O)NC1=C2C=CC=CC2=NS1
Structure:
CAS RN: 67019-19-6
CAS Name: N-(2,1-benzothiazol-3-yl)-2-chloroacetamide
OPENEYE Name: N-(2,1-benzothiazol-3-yl)-2-chloro-acetamide
IUPAC Name: N-(2,1-benzothiazol-3-yl)-2-chloroacetamide
SYSTEMATIC NAME: N-(2,1-benzothiazol-3-yl)-2-chloranyl-ethanamide
MOLECULAR FORMULA: C9H7ClN2OS
MOLECULAR WEIGHT: 226.68268
SMILES: C1=CC2=C(SN=C2C=C1)NC(=O)CCl
Structure:
CAS RN: 65591-12-0
CAS Name: butanoic acid (2-methoxy-4-prop-2-enylphenyl) ester
OPENEYE Name: (4-allyl-2-methoxy-phenyl) butanoate
IUPAC Name: (2-methoxy-4-prop-2-enylphenyl) butanoate
SYSTEMATIC NAME: (2-methoxy-4-prop-2-enyl-phenyl) butanoate
MOLECULAR FORMULA: C14H18O3
MOLECULAR WEIGHT: 234.29092
SMILES: CCCC(=O)OC1=C(C=C(C=C1)CC=C)OC
Structure:
CAS RN: 64552-26-7
CAS Name: 2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
OPENEYE Name: 2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
IUPAC Name: 2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-(3-oxidanylidene-1,2-benzothiazol-2-yl)ethanamide
MOLECULAR FORMULA: C9H8N2O2S
MOLECULAR WEIGHT: 208.23702
SMILES: C1=CC=C2C(=C1)C(=O)N(S2)CC(=O)N
Structure:
CAS RN: 64503-11-3
CAS Name: acetic acid [(E)-1,4-dibromobut-2-enyl] ester
OPENEYE Name: [(E)-1,4-dibromobut-2-enyl] acetate
IUPAC Name: [(E)-1,4-dibromobut-2-enyl] acetate
SYSTEMATIC NAME: [(E)-1,4-bis(bromanyl)but-2-enyl] ethanoate
MOLECULAR FORMULA: C6H8Br2O2
MOLECULAR WEIGHT: 271.93452
SMILES: CC(=O)OC(/C=C/CBr)Br
Structure:
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