ethyl 4,5-dimethyl-2-(pyridin-3-ylcarbonylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-(pyridin-3-ylcarbonylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-(pyridine-3-carbonylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[[oxo(3-pyridinyl)methyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-(pyridine-3-carbonylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(nicotinoylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3S2/c1-4-22-15(21)12-9(2)10(3)24-14(12)19-16(23)18-13(20)11-6-5-7-17-8-11/h5-8H,4H2,1-3H3,(H2,18,19,20,23)