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

Systemtic Name: diethyl 3-methyl-5-[(4-methylpyridin-2-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(4-methyl-2-pyridyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[(4-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-methylpyridin-2-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-methyl-2-pyridyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NC=CC(=C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NC=CC(=C2)C

InChI

InChI=1S/C18H21N3O4S2/c1-5-24-16(22)13-11(4)14(17(23)25-6-2)27-15(13)21-18(26)20-12-9-10(3)7-8-19-12/h7-9H,5-6H2,1-4H3,(H2,19,20,21,26)