diethyl 5-[2-[[4-(3-chlorophenyl)-5-[[(2-fluorophenyl)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-[[(2-fluorophenyl)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-[[(2-fluorobenzoyl)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-[[[(2-fluorophenyl)-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-[[(2-fluorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[[4-(3-chlorophenyl)-5-[[(2-fluorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C29H27ClFN5O6S2 MolecularWeight: 660.135983

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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=C4F

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=C4F

InChI

InChI=1S/C29H27ClFN5O6S2/c1-4-41-27(39)23-16(3)24(28(40)42-5-2)44-26(23)33-22(37)15-43-29-35-34-21(36(29)18-10-8-9-17(30)13-18)14-32-25(38)19-11-6-7-12-20(19)31/h6-13H,4-5,14-15H2,1-3H3,(H,32,38)(H,33,37)