diethyl 5-[2-[[4-(4-fluorophenyl)-5-[[(3-methylphenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-[[4-(4-fluorophenyl)-5-[[(3-methylphenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[2-[[4-(4-fluorophenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[[4-(4-fluorophenyl)-5-[[[(3-methylphenyl)-oxomethyl]amino]methyl]-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-[[4-(4-fluorophenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-[[4-(4-fluorophenyl)-5-[(m-toluoylamino)methyl]-1,2,4-triazol-3-yl]thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C31H32FN5O6S2 MolecularWeight: 653.744083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SC2=NN=C(N2C3=CC=C(C=C3)F)CNC(=O)C4=CC(=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SC2=NN=C(N2C3=CC=C(C=C3)F)CNC(=O)C4=CC(=CC=C4)C

InChI

InChI=1S/C31H32FN5O6S2/c1-6-42-29(40)24-18(4)25(30(41)43-7-2)45-28(24)34-26(38)19(5)44-31-36-35-23(37(31)22-13-11-21(32)12-14-22)16-33-27(39)20-10-8-9-17(3)15-20/h8-15,19H,6-7,16H2,1-5H3,(H,33,39)(H,34,38)