ethyl 6-(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-(2-amino-2-oxo-1-phenyl-ethyl)sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[(2-amino-2-oxo-1-phenylethyl)thio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-amino-2-oxo-1-phenylethyl)sulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[(2-amino-2-keto-1-phenyl-ethyl)thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C2=CC=CC=C2)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C2=CC=CC=C2)C(=O)N)C

InChI

InChI=1S/C18H17N3O3S/c1-3-24-18(23)14-9-13(10-19)17(21-11(14)2)25-15(16(20)22)12-7-5-4-6-8-12/h4-9,15H,3H2,1-2H3,(H2,20,22)