methyl 4-(4-methoxyphenyl)sulfonyl-1-thiophen-3-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 4-(4-methoxyphenyl)sulfonyl-1-thiophen-3-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 4-(4-methoxyphenyl)sulfonyl-1-(thiophene-3-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[oxo(3-thiophenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxyphenyl)sulfonyl-1-(thiophene-3-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-(3-thenoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C23H22N2O6S2 MolecularWeight: 486.56058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)OC)C(=O)C4=CSC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)OC)C(=O)C4=CSC=C4

InChI

InChI=1S/C23H22N2O6S2/c1-30-18-7-9-19(10-8-18)33(28,29)25-13-16-5-3-4-6-20(16)24(14-21(25)23(27)31-2)22(26)17-11-12-32-15-17/h3-12,15,21H,13-14H2,1-2H3