ethyl 2-azanyl-5-cyano-6-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-cyano-6-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 2-amino-5-cyano-6-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 2-amino-5-cyano-6-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-cyano-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-amino-5-cyano-6-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]nicotinic acid ethyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)C2=CC=C(C=C2)OC)N

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)C2=CC=C(C=C2)OC)N

InChI

InChI=1S/C18H17N3O4S/c1-3-25-18(23)14-8-12(9-19)17(21-16(14)20)26-10-15(22)11-4-6-13(24-2)7-5-11/h4-8H,3,10H2,1-2H3,(H2,20,21)