diethyl 3-methyl-5-(2-phenylethanoylcarbamothioylamino)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(2-phenylethanoylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(2-phenylacetyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(2-phenylacetyl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(2-phenylacetyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O5S2/c1-4-26-18(24)15-12(3)16(19(25)27-5-2)29-17(15)22-20(28)21-14(23)11-13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3,(H2,21,22,23,28)