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

Systemtic Name: 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid 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 IUPAC Name: 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-(2-thenoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C26H24N2O7S2 MolecularWeight: 540.60796

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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)O)C(=O)C4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O7S2/c1-34-14-4-5-15-35-20-10-12-21(13-11-20)37(32,33)28-17-19-7-2-3-8-22(19)27(18-23(28)26(30)31)25(29)24-9-6-16-36-24/h2-3,6-13,16,23H,14-15,17-18H2,1H3,(H,30,31)