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

Systemtic Name: diethyl 5-[2-[[4-cyclohexyl-5-[[(4-nitrophenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[[4-cyclohexyl-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[[4-cyclohexyl-5-[[[(4-nitrophenyl)-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-cyclohexyl-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[[4-cyclohexyl-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C29H34N6O8S2 MolecularWeight: 658.74566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2C3CCCCC3)CNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2C3CCCCC3)CNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H34N6O8S2/c1-4-42-27(38)23-17(3)24(28(39)43-5-2)45-26(23)31-22(36)16-44-29-33-32-21(34(29)19-9-7-6-8-10-19)15-30-25(37)18-11-13-20(14-12-18)35(40)41/h11-14,19H,4-10,15-16H2,1-3H3,(H,30,37)(H,31,36)