diethyl 5-[2-[[5-[[(2-chloranyl-6-fluoranyl-phenyl)carbonylamino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-[[5-[[(2-chloranyl-6-fluoranyl-phenyl)carbonylamino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[[5-[[(2-chloro-6-fluoro-benzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[[5-[[[(2-chloro-6-fluorophenyl)-oxomethyl]amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[[5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[[5-[[(2-chloro-6-fluoro-benzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C29H26ClF2N5O6S2 MolecularWeight: 678.126446

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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=C(C=C3)F)CNC(=O)C4=C(C=CC=C4Cl)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CNC(=O)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C29H26ClF2N5O6S2/c1-4-42-27(40)22-15(3)24(28(41)43-5-2)45-26(22)34-21(38)14-44-29-36-35-20(37(29)17-11-9-16(31)10-12-17)13-33-25(39)23-18(30)7-6-8-19(23)32/h6-12H,4-5,13-14H2,1-3H3,(H,33,39)(H,34,38)