diethyl 5-[2-[[4-(3-chlorophenyl)-5-[[(3-methoxyphenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-[[4-(3-chlorophenyl)-5-[[(3-methoxyphenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[[4-(3-chlorophenyl)-5-[[(3-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[[4-(3-chlorophenyl)-5-[[[(3-methoxyphenyl)-oxomethyl]amino]methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[[4-(3-chlorophenyl)-5-[[(3-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[[4-(3-chlorophenyl)-5-[(m-anisoylamino)methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C30H30ClN5O7S2 MolecularWeight: 672.1715

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)CNC(=O)C4=CC(=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)CNC(=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C30H30ClN5O7S2/c1-5-42-28(39)24-17(3)25(29(40)43-6-2)45-27(24)33-23(37)16-44-30-35-34-22(36(30)20-11-8-10-19(31)14-20)15-32-26(38)18-9-7-12-21(13-18)41-4/h7-14H,5-6,15-16H2,1-4H3,(H,32,38)(H,33,37)