diethyl 5-[(4,6-dimethylpyridin-2-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(4,6-dimethylpyridin-2-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(4,6-dimethyl-2-pyridyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(4,6-dimethyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4,6-dimethylpyridin-2-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4,6-dimethyl-2-pyridyl)thiocarbamoylamino]-3-methyl-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)NC2=CC(=CC(=N2)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC(=CC(=N2)C)C

InChI

InChI=1S/C19H23N3O4S2/c1-6-25-17(23)14-12(5)15(18(24)26-7-2)28-16(14)22-19(27)21-13-9-10(3)8-11(4)20-13/h8-9H,6-7H2,1-5H3,(H2,20,21,22,27)