CAS RN: 49629-13-2
CAS Name: 1-benzoyl-5,5-dimethyl-3-pyrazolidinone
OPENEYE Name: 1-benzoyl-5,5-dimethyl-pyrazolidin-3-one
IUPAC Name: 1-benzoyl-5,5-dimethylpyrazolidin-3-one
SYSTEMATIC NAME: 5,5-dimethyl-1-(phenylcarbonyl)pyrazolidin-3-one
MOLECULAR FORMULA: C12H14N2O2
MOLECULAR WEIGHT: 218.25176
SMILES: CC1(CC(=O)NN1C(=O)C2=CC=CC=C2)C
Structure:
CAS RN: 40697-32-3
CAS Name: acetic acid 4-thianyl ester
OPENEYE Name: tetrahydrothiopyran-4-yl acetate
IUPAC Name: thian-4-yl acetate
SYSTEMATIC NAME: thian-4-yl ethanoate
MOLECULAR FORMULA: C7H12O2S
MOLECULAR WEIGHT: 160.23398
SMILES: CC(=O)OC1CCSCC1
Structure:
CAS RN: 40697-93-6
CAS Name: 4-methyl-N-(8-thiabicyclo[3.2.1]octan-3-ylideneamino)benzenesulfonamide
OPENEYE Name: 4-methyl-N-(8-thiabicyclo[3.2.1]octan-3-ylideneamino)benzenesulfonamide
IUPAC Name: 4-methyl-N-(8-thiabicyclo[3.2.1]octan-3-ylideneamino)benzenesulfonamide
SYSTEMATIC NAME: 4-methyl-N-(8-thiabicyclo[3.2.1]octan-3-ylideneamino)benzenesulfonamide
MOLECULAR FORMULA: C14H18N2O2S2
MOLECULAR WEIGHT: 310.43492
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NN=C2CC3CCC(C2)S3
Structure:
CAS RN: 1708-23-2
CAS Name: 4-methyl-N-(3-thiolanylideneamino)benzenesulfonamide
OPENEYE Name: 4-methyl-N-(tetrahydrothiophen-3-ylideneamino)benzenesulfonamide
IUPAC Name: 4-methyl-N-(thiolan-3-ylideneamino)benzenesulfonamide
SYSTEMATIC NAME: 4-methyl-N-(thiolan-3-ylideneamino)benzenesulfonamide
MOLECULAR FORMULA: C11H14N2O2S2
MOLECULAR WEIGHT: 270.37106
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCSC2
Structure:
CAS RN: 5905-55-5
CAS Name: acetic acid 3-thietanyl ester
OPENEYE Name: thietan-3-yl acetate
IUPAC Name: thietan-3-yl acetate
SYSTEMATIC NAME: thietan-3-yl ethanoate
MOLECULAR FORMULA: C5H8O2S
MOLECULAR WEIGHT: 132.18082
SMILES: CC(=O)OC1CSC1
Structure:
CAS RN: 53927-62-1
CAS Name: 3-(N-(3-ethoxy-2,2-dimethyl-3-oxopropyl)anilino)-2,2-dimethylpropanoic acid ethyl ester
OPENEYE Name: ethyl 3-(N-(3-ethoxy-2,2-dimethyl-3-oxo-propyl)anilino)-2,2-dimethyl-propanoate
IUPAC Name: ethyl 3-(N-(3-ethoxy-2,2-dimethyl-3-oxopropyl)anilino)-2,2-dimethylpropanoate
SYSTEMATIC NAME: ethyl 3-[(3-ethoxy-2,2-dimethyl-3-oxidanylidene-propyl)-phenyl-amino]-2,2-dimethyl-propanoate
MOLECULAR FORMULA: C20H31NO4
MOLECULAR WEIGHT: 349.46444
SMILES: CCOC(=O)C(C)(C)CN(CC(C)(C)C(=O)OCC)C1=CC=CC=C1
Structure:
CAS RN: 58384-42-2
CAS Name: 3-(butoxymethyl)-4,4-dimethyloxazolidine
OPENEYE Name: 3-(butoxymethyl)-4,4-dimethyl-oxazolidine
IUPAC Name: 3-(butoxymethyl)-4,4-dimethyl-1,3-oxazolidine
SYSTEMATIC NAME: 3-(butoxymethyl)-4,4-dimethyl-1,3-oxazolidine
MOLECULAR FORMULA: C10H21NO2
MOLECULAR WEIGHT: 187.27924
SMILES: CCCCOCN1COCC1(C)C
Structure:
CAS RN: 58384-43-3
CAS Name: 3-[(4,4-dimethyl-3-oxazolidinyl)methyl]-4,4-dimethyloxazolidine
OPENEYE Name: 3-[(4,4-dimethyloxazolidin-3-yl)methyl]-4,4-dimethyl-oxazolidine
IUPAC Name: 3-[(4,4-dimethyl-1,3-oxazolidin-3-yl)methyl]-4,4-dimethyl-1,3-oxazolidine
SYSTEMATIC NAME: 3-[(4,4-dimethyl-1,3-oxazolidin-3-yl)methyl]-4,4-dimethyl-1,3-oxazolidine
MOLECULAR FORMULA: C11H22N2O2
MOLECULAR WEIGHT: 214.30458
SMILES: CC1(COCN1CN2COCC2(C)C)C
Structure:
CAS RN: 40910-25-6
CAS Name: 3-(4,4-dimethyl-3-oxazolidinyl)-2,2-dimethylpropanoic acid ethyl ester
OPENEYE Name: ethyl 3-(4,4-dimethyloxazolidin-3-yl)-2,2-dimethyl-propanoate
IUPAC Name: ethyl 3-(4,4-dimethyl-1,3-oxazolidin-3-yl)-2,2-dimethylpropanoate
SYSTEMATIC NAME: ethyl 3-(4,4-dimethyl-1,3-oxazolidin-3-yl)-2,2-dimethyl-propanoate
MOLECULAR FORMULA: C12H23NO3
MOLECULAR WEIGHT: 229.31592
SMILES: CCOC(=O)C(C)(C)CN1COCC1(C)C
Structure:
CAS RN: 37489-10-4
CAS Name: 3-[tert-butyl-(3-ethoxy-2-methyl-3-oxopropyl)amino]-2-methylpropanoic acid ethyl ester
OPENEYE Name: ethyl 3-[tert-butyl-(3-ethoxy-2-methyl-3-oxo-propyl)amino]-2-methyl-propanoate
IUPAC Name: ethyl 3-[tert-butyl-(3-ethoxy-2-methyl-3-oxopropyl)amino]-2-methylpropanoate
SYSTEMATIC NAME: ethyl 3-[tert-butyl-(3-ethoxy-2-methyl-3-oxidanylidene-propyl)amino]-2-methyl-propanoate
MOLECULAR FORMULA: C16H31NO4
MOLECULAR WEIGHT: 301.42164
SMILES: CCOC(=O)C(C)CN(CC(C)C(=O)OCC)C(C)(C)C
Structure:
CAS RN: 58384-41-1
CAS Name: 3-[(3-ethoxy-2,2-dimethyl-3-oxopropyl)-(1-hydroxy-2-methylpropan-2-yl)amino]-2,2-dimethylpropanoic acid ethyl ester
OPENEYE Name: ethyl 3-[(3-ethoxy-2,2-dimethyl-3-oxo-propyl)-(2-hydroxy-1,1-dimethyl-ethyl)amino]-2,2-dimethyl-propanoate
IUPAC Name: ethyl 3-[(3-ethoxy-2,2-dimethyl-3-oxopropyl)-(1-hydroxy-2-methylpropan-2-yl)amino]-2,2-dimethylpropanoate
SYSTEMATIC NAME: ethyl 3-[(3-ethoxy-2,2-dimethyl-3-oxidanylidene-propyl)-(2-methyl-1-oxidanyl-propan-2-yl)amino]-2,2-dimethyl-propanoate
MOLECULAR FORMULA: C18H35NO5
MOLECULAR WEIGHT: 345.4742
SMILES: CCOC(=O)C(C)(C)CN(CC(C)(C)C(=O)OCC)C(C)(C)CO
Structure:
CAS RN: 38113-75-6
CAS Name: 4-(2-methoxycarbonylanilino)butanoic acid
OPENEYE Name: 4-(2-methoxycarbonylanilino)butanoic acid
IUPAC Name: 4-(2-methoxycarbonylanilino)butanoic acid
SYSTEMATIC NAME: 4-[(2-methoxycarbonylphenyl)amino]butanoic acid
MOLECULAR FORMULA: C12H15NO4
MOLECULAR WEIGHT: 237.2518
SMILES: COC(=O)C1=CC=CC=C1NCCCC(=O)O
Structure:
CAS RN: 19812-58-9
CAS Name: 3-[bis(phenylmethyl)amino]propanoic acid
OPENEYE Name: 3-(dibenzylamino)propanoic acid
IUPAC Name: 3-(dibenzylamino)propanoic acid
SYSTEMATIC NAME: 3-[bis(phenylmethyl)amino]propanoic acid
MOLECULAR FORMULA: C17H19NO2
MOLECULAR WEIGHT: 269.33826
SMILES: C1=CC=C(C=C1)CN(CCC(=O)O)CC2=CC=CC=C2
Structure:
CAS RN: 57662-89-2
CAS Name: 4-[N-(2-chloroprop-2-enyl)-3-methoxyanilino]butanoic acid
OPENEYE Name: 4-[N-(2-chloroallyl)-3-methoxy-anilino]butanoic acid
IUPAC Name: 4-[N-(2-chloroprop-2-enyl)-3-methoxyanilino]butanoic acid
SYSTEMATIC NAME: 4-[2-chloranylprop-2-enyl-(3-methoxyphenyl)amino]butanoic acid
MOLECULAR FORMULA: C14H18ClNO3
MOLECULAR WEIGHT: 283.75062
SMILES: COC1=CC=CC(=C1)N(CCCC(=O)O)CC(=C)Cl
Structure:
CAS RN: 41789-96-2
CAS Name: 3-[(3-methoxyphenyl)methyl-methylamino]propanoic acid
OPENEYE Name: 3-[(3-methoxyphenyl)methyl-methyl-amino]propanoic acid
IUPAC Name: 3-[(3-methoxyphenyl)methyl-methylamino]propanoic acid
SYSTEMATIC NAME: 3-[(3-methoxyphenyl)methyl-methyl-amino]propanoic acid
MOLECULAR FORMULA: C12H17NO3
MOLECULAR WEIGHT: 223.26828
SMILES: CN(CCC(=O)O)CC1=CC(=CC=C1)OC
Structure:
CAS RN: 34129-52-7
CAS Name: 3-(3,4-dichloroanilino)butanoic acid
OPENEYE Name: 3-(3,4-dichloroanilino)butanoic acid
IUPAC Name: 3-(3,4-dichloroanilino)butanoic acid
SYSTEMATIC NAME: 3-[(3,4-dichlorophenyl)amino]butanoic acid
MOLECULAR FORMULA: C10H11Cl2NO2
MOLECULAR WEIGHT: 248.10584
SMILES: CC(CC(=O)O)NC1=CC(=C(C=C1)Cl)Cl
Structure:
CAS RN: 36036-82-5
CAS Name: 4-[2-(2-ethoxy-2-oxoethyl)-N-methylsulfonylanilino]butanoic acid ethyl ester
OPENEYE Name: ethyl 4-[2-(2-ethoxy-2-oxo-ethyl)-N-methylsulfonyl-anilino]butanoate
IUPAC Name: ethyl 4-[2-(2-ethoxy-2-oxoethyl)-N-methylsulfonylanilino]butanoate
SYSTEMATIC NAME: ethyl 4-[[2-(2-ethoxy-2-oxidanylidene-ethyl)phenyl]-methylsulfonyl-amino]butanoate
MOLECULAR FORMULA: C17H25NO6S
MOLECULAR WEIGHT: 371.4485
SMILES: CCOC(=O)CCCN(C1=CC=CC=C1CC(=O)OCC)S(=O)(=O)C
Structure:
CAS RN: 34129-35-6
CAS Name: 1,1-dibromo-7b-ethoxy-6-methoxy-3-(4-methylphenyl)sulfonyl-1a,2-dihydrocyclopropa[c]quinoline
OPENEYE Name: 1,1-dibromo-7b-ethoxy-6-methoxy-3-(p-tolylsulfonyl)-1a,2-dihydrocyclopropa[c]quinoline
IUPAC Name: 1,1-dibromo-7b-ethoxy-6-methoxy-3-(4-methylphenyl)sulfonyl-1a,2-dihydrocyclopropa[c]quinoline
SYSTEMATIC NAME: 1,1-bis(bromanyl)-7b-ethoxy-6-methoxy-3-(4-methylphenyl)sulfonyl-1a,2-dihydrocyclopropa[c]quinoline
MOLECULAR FORMULA: C20H21Br2NO4S
MOLECULAR WEIGHT: 531.25804
SMILES: CCOC12C(C1(Br)Br)CN(C3=C2C=C(C=C3)OC)S(=O)(=O)C4=CC=C(C=C4)C
Structure:
CAS RN: 34129-62-9
CAS Name: 1,1-dibromo-7b-ethoxy-2-methyl-3-methylsulfonyl-1a,2-dihydrocyclopropa[c]quinoline
OPENEYE Name: 1,1-dibromo-7b-ethoxy-2-methyl-3-methylsulfonyl-1a,2-dihydrocyclopropa[c]quinoline
IUPAC Name: 1,1-dibromo-7b-ethoxy-2-methyl-3-methylsulfonyl-1a,2-dihydrocyclopropa[c]quinoline
SYSTEMATIC NAME: 1,1-bis(bromanyl)-7b-ethoxy-2-methyl-3-methylsulfonyl-1a,2-dihydrocyclopropa[c]quinoline
MOLECULAR FORMULA: C14H17Br2NO3S
MOLECULAR WEIGHT: 439.16268
SMILES: CCOC12C(C1(Br)Br)C(N(C3=CC=CC=C23)S(=O)(=O)C)C
Structure:
CAS RN: 34129-34-5
CAS Name: 4-ethoxy-6-methoxy-1-(4-methylphenyl)sulfonyl-2H-quinoline
OPENEYE Name: 4-ethoxy-6-methoxy-1-(p-tolylsulfonyl)-2H-quinoline
IUPAC Name: 4-ethoxy-6-methoxy-1-(4-methylphenyl)sulfonyl-2H-quinoline
SYSTEMATIC NAME: 4-ethoxy-6-methoxy-1-(4-methylphenyl)sulfonyl-2H-quinoline
MOLECULAR FORMULA: C19H21NO4S
MOLECULAR WEIGHT: 359.43934
SMILES: CCOC1=CCN(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C
Structure:
CAS RN: 3835-21-0
CAS Name: 6-methoxy-2,3-dihydro-1H-quinolin-4-one
OPENEYE Name: 6-methoxy-2,3-dihydro-1H-quinolin-4-one
IUPAC Name: 6-methoxy-2,3-dihydro-1H-quinolin-4-one
SYSTEMATIC NAME: 6-methoxy-2,3-dihydro-1H-quinolin-4-one
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: COC1=CC2=C(C=C1)NCCC2=O
Structure:
CAS RN: 34129-60-7
CAS Name: 2-methyl-1-methylsulfonyl-2,3-dihydroquinolin-4-one
OPENEYE Name: 2-methyl-1-methylsulfonyl-2,3-dihydroquinolin-4-one
IUPAC Name: 2-methyl-1-methylsulfonyl-2,3-dihydroquinolin-4-one
SYSTEMATIC NAME: 2-methyl-1-methylsulfonyl-2,3-dihydroquinolin-4-one
MOLECULAR FORMULA: C11H13NO3S
MOLECULAR WEIGHT: 239.29082
SMILES: CC1CC(=O)C2=CC=CC=C2N1S(=O)(=O)C
Structure:
CAS RN: 36064-31-0
CAS Name: 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl 6-oxo-1-(p-tolylsulfonyl)-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate
IUPAC Name: ethyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate
SYSTEMATIC NAME: ethyl 1-(4-methylphenyl)sulfonyl-6-oxidanylidene-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate
MOLECULAR FORMULA: C21H23NO5S
MOLECULAR WEIGHT: 401.47602
SMILES: CCOC(=O)C1CCCN(C2=CC=CC=C2C1=O)S(=O)(=O)C3=CC=C(C=C3)C
Structure:
CAS RN: 36036-87-0
CAS Name: 5,5-dibromo-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazocin-6-one
OPENEYE Name: 5,5-dibromo-1-(p-tolylsulfonyl)-3,4-dihydro-2H-1-benzazocin-6-one
IUPAC Name: 5,5-dibromo-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazocin-6-one
SYSTEMATIC NAME: 5,5-bis(bromanyl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazocin-6-one
MOLECULAR FORMULA: C18H17Br2NO3S
MOLECULAR WEIGHT: 487.20548
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C(=O)C3=CC=CC=C32)(Br)Br
Structure:
CAS RN: 56014-56-3
CAS Name: N-(4-methoxyphenyl)carbamic acid [[3-(4-methylphenyl)sulfonyl-2,4-dihydro-1H-3-benzazepin-5-ylidene]amino] ester
OPENEYE Name: [[3-(p-tolylsulfonyl)-2,4-dihydro-1H-3-benzazepin-5-ylidene]amino] N-(4-methoxyphenyl)carbamate
IUPAC Name: [[3-(4-methylphenyl)sulfonyl-2,4-dihydro-1H-3-benzazepin-5-ylidene]amino] N-(4-methoxyphenyl)carbamate
SYSTEMATIC NAME: [[3-(4-methylphenyl)sulfonyl-2,4-dihydro-1H-3-benzazepin-5-ylidene]amino] N-(4-methoxyphenyl)carbamate
MOLECULAR FORMULA: C25H25N3O5S
MOLECULAR WEIGHT: 479.5481
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C(=NOC(=O)NC4=CC=C(C=C4)OC)C2
Structure:
CAS RN: 56014-57-4
CAS Name: 5-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,2-dihydro-3-benzazepine
OPENEYE Name: 5-(4-methoxyphenyl)-3-(p-tolylsulfonyl)-1,2-dihydro-3-benzazepine
IUPAC Name: 5-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,2-dihydro-3-benzazepine
SYSTEMATIC NAME: 5-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,2-dihydro-3-benzazepine
MOLECULAR FORMULA: C24H23NO3S
MOLECULAR WEIGHT: 405.50932
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C(=C2)C4=CC=C(C=C4)OC
Structure:
CAS RN: 19301-11-2
CAS Name: 2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol
OPENEYE Name: 2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol
IUPAC Name: 2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol
SYSTEMATIC NAME: 2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: C1CNCC(C2=CC=CC=C21)O
Structure:
CAS RN: 56014-48-3
CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid
IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C15H21NO4
MOLECULAR WEIGHT: 279.33154
SMILES: COC1=C(C=C(C=C1)CCN2CCCC2C(=O)O)OC
Structure:
CAS RN: 56014-49-4
CAS Name: 1-(2-phenylethyl)-2-pyrrolidinecarboxylic acid
OPENEYE Name: 1-(2-phenylethyl)pyrrolidine-2-carboxylic acid
IUPAC Name: 1-(2-phenylethyl)pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-(2-phenylethyl)pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C13H17NO2
MOLECULAR WEIGHT: 219.27958
SMILES: C1CC(N(C1)CCC2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 25894-74-0
CAS Name: 1-ethoxy-8-methoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2-benzazepin-5-one
OPENEYE Name: 1-ethoxy-8-methoxy-2-(p-tolylsulfonyl)-3,4-dihydro-1H-2-benzazepin-5-one
IUPAC Name: 1-ethoxy-8-methoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2-benzazepin-5-one
SYSTEMATIC NAME: 1-ethoxy-8-methoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2-benzazepin-5-one
MOLECULAR FORMULA: C20H23NO5S
MOLECULAR WEIGHT: 389.46532
SMILES: CCOC1C2=C(C=CC(=C2)OC)C(=O)CCN1S(=O)(=O)C3=CC=C(C=C3)C
Structure:
CAS RN: 41790-03-8
CAS Name: 8-methoxy-2-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydro-2-benzazepin-5-ol
OPENEYE Name: 8-methoxy-2-(p-tolylsulfonyl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol
IUPAC Name: 8-methoxy-2-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydro-2-benzazepin-5-ol
SYSTEMATIC NAME: 8-methoxy-2-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydro-2-benzazepin-5-ol
MOLECULAR FORMULA: C18H21NO4S
MOLECULAR WEIGHT: 347.42864
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C3=C(C2)C=C(C=C3)OC)O
Structure:
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