methyl 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-[oxo(thiophen-2-yl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-(2-thenoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C27H26N2O7S2 MolecularWeight: 554.63454

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)OC)C(=O)C4=CC=CS4

Isomeric SMILES

COCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)OC)C(=O)C4=CC=CS4

InChI

InChI=1S/C27H26N2O7S2/c1-34-15-5-6-16-36-21-11-13-22(14-12-21)38(32,33)29-18-20-8-3-4-9-23(20)28(19-24(29)27(31)35-2)26(30)25-10-7-17-37-25/h3-4,7-14,17,24H,15-16,18-19H2,1-2H3