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

Systemtic Name: diethyl 5-[2-[[5-[[(3-fluorophenyl)carbonylamino]methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[[5-[[(3-fluorobenzoyl)amino]methyl]-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[[5-[[[(3-fluorophenyl)-oxomethyl]amino]methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[[5-[[(3-fluorobenzoyl)amino]methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[[5-[[(3-fluorobenzoyl)amino]methyl]-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C30H30FN5O6S2 MolecularWeight: 639.717503

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30FN5O6S2/c1-5-41-28(39)24-18(4)25(29(40)42-6-2)44-27(24)33-23(37)16-43-30-35-34-22(36(30)21-12-7-9-17(3)13-21)15-32-26(38)19-10-8-11-20(31)14-19/h7-14H,5-6,15-16H2,1-4H3,(H,32,38)(H,33,37)