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

Systemtic Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-thiophen-3-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(thiophene-3-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[oxo(3-thiophenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(thiophene-3-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(3-thenoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C26H24N2O6S2 MolecularWeight: 524.60856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O6S2/c1-3-4-14-34-21-9-11-22(12-10-21)36(31,32)28-16-19-7-5-6-8-23(19)27(17-24(28)26(30)33-2)25(29)20-13-15-35-18-20/h5-13,15,18,24H,14,16-17H2,1-2H3