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

Systemtic Name: ethyl 6-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-(3-amino-3-oxo-propyl)sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[(3-amino-3-oxopropyl)thio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-amino-3-oxopropyl)sulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[(3-amino-3-keto-propyl)thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCCC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCCC(=O)N)C

InChI

InChI=1S/C13H15N3O3S/c1-3-19-13(18)10-6-9(7-14)12(16-8(10)2)20-5-4-11(15)17/h6H,3-5H2,1-2H3,(H2,15,17)