methyl 1-(4-methylthiophen-2-yl)carbonyl-4-[4-(4-oxidanylbut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 1-(4-methylthiophen-2-yl)carbonyl-4-[4-(4-oxidanylbut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-1-(4-methylthiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-1-[(4-methyl-2-thiophenyl)-oxomethyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-1-(4-methylthiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-1-(4-methylthiophene-2-carbonyl)-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:

CC1=CSC(=C1)C(=O)N2CC(N(CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)OCC#CCO)C(=O)OC

Isomeric SMILES

CC1=CSC(=C1)C(=O)N2CC(N(CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)OCC#CCO)C(=O)OC

InChI

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