diethyl 3-methyl-5-[(phenylmethyl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(phenylmethyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(benzylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(benzylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(benzylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=CC=CC=C2

InChI

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