ethyl 2-[(2-ethoxy-2-oxidanylidene-ethyl)carbamothioylamino]pyridine-3-carboxylate

Systemtic Name: ethyl 2-[(2-ethoxy-2-oxidanylidene-ethyl)carbamothioylamino]pyridine-3-carboxylate Openeye Name: ethyl 2-[(2-ethoxy-2-oxo-ethyl)carbamothioylamino]pyridine-3-carboxylate CAS Name: 2-[[[(2-ethoxy-2-oxoethyl)amino]-sulfanylidenemethyl]amino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-ethoxy-2-oxoethyl)carbamothioylamino]pyridine-3-carboxylate Traditional Name: 2-[(2-ethoxy-2-keto-ethyl)thiocarbamoylamino]nicotinic acid ethyl ester Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)NC1=C(C=CC=N1)C(=O)OCC

Isomeric SMILES

CCOC(=O)CNC(=S)NC1=C(C=CC=N1)C(=O)OCC

InChI

InChI=1S/C13H17N3O4S/c1-3-19-10(17)8-15-13(21)16-11-9(6-5-7-14-11)12(18)20-4-2/h5-7H,3-4,8H2,1-2H3,(H2,14,15,16,21)