dimethyl 3-methyl-5-[1-(4-methylphenyl)ethylcarbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[1-(4-methylphenyl)ethylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[1-(p-tolyl)ethylcarbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[1-(4-methylphenyl)ethylamino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[1-(4-methylphenyl)ethylcarbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[1-(p-tolyl)ethylthiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C19H22N2O4S2/c1-10-6-8-13(9-7-10)12(3)20-19(26)21-16-14(17(22)24-4)11(2)15(27-16)18(23)25-5/h6-9,12H,1-5H3,(H2,20,21,26)