ethyl 5-cyano-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-2-phenyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-2-phenyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-(2-ethoxy-2-oxo-ethyl)sulfanyl-2-phenyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[(2-ethoxy-2-oxoethyl)thio]-2-phenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-2-phenylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[(2-ethoxy-2-keto-ethyl)thio]-2-phenyl-nicotinic acid ethyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C(C=C1C#N)C(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSC1=NC(=C(C=C1C#N)C(=O)OCC)C2=CC=CC=C2

InChI

InChI=1S/C19H18N2O4S/c1-3-24-16(22)12-26-18-14(11-20)10-15(19(23)25-4-2)17(21-18)13-8-6-5-7-9-13/h5-10H,3-4,12H2,1-2H3