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

Systemtic Name: methyl 4-(4-but-2-ynylphenyl)sulfonyl-1-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 4-(4-but-2-ynylphenyl)sulfonyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 4-(4-but-2-ynylphenyl)sulfonyl-1-[oxo(thiophen-2-yl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-but-2-ynylphenyl)sulfonyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 4-(4-but-2-ynylphenyl)sulfonyl-1-(2-thenoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C26H24N2O5S2 MolecularWeight: 508.60916

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)OC)C(=O)C4=CC=CS4

Isomeric SMILES

CC#CCC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)OC)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H24N2O5S2/c1-3-4-8-19-12-14-21(15-13-19)35(31,32)28-17-20-9-5-6-10-22(20)27(18-23(28)26(30)33-2)25(29)24-11-7-16-34-24/h5-7,9-16,23H,8,17-18H2,1-2H3