ethyl 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-phenyl-4-pyridin-4-yl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-phenyl-4-pyridin-4-yl-pyridine-3-carboxylate Openeye Name: ethyl 6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-2-phenyl-4-(4-pyridyl)pyridine-3-carboxylate CAS Name: 6-[(2-amino-2-oxoethyl)thio]-5-cyano-2-phenyl-4-pyridin-4-yl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-phenyl-4-pyridin-4-ylpyridine-3-carboxylate Traditional Name: 6-[(2-amino-2-keto-ethyl)thio]-5-cyano-2-phenyl-4-(4-pyridyl)nicotinic acid ethyl ester Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1C2=CC=NC=C2)C#N)SCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1C2=CC=NC=C2)C#N)SCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C22H18N4O3S/c1-2-29-22(28)19-18(14-8-10-25-11-9-14)16(12-23)21(30-13-17(24)27)26-20(19)15-6-4-3-5-7-15/h3-11H,2,13H2,1H3,(H2,24,27)