diethyl 3-methyl-5-(1-pyridin-4-ylethylcarbamothioylamino)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(1-pyridin-4-ylethylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[1-(4-pyridyl)ethylcarbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(1-pyridin-4-ylethylamino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(1-pyridin-4-ylethylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[1-(4-pyridyl)ethylthiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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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=NC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S2/c1-5-25-17(23)14-11(3)15(18(24)26-6-2)28-16(14)22-19(27)21-12(4)13-7-9-20-10-8-13/h7-10,12H,5-6H2,1-4H3,(H2,21,22,27)