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

Systemtic Name: diethyl 3-methyl-5-[1-(4-methylphenyl)ethylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(C)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(C)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H26N2O4S2/c1-6-26-19(24)16-13(4)17(20(25)27-7-2)29-18(16)23-21(28)22-14(5)15-10-8-12(3)9-11-15/h8-11,14H,6-7H2,1-5H3,(H2,22,23,28)