ethyl 5-cyano-6-[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfanyl-pyridine-2-carboxylate

Systemtic Name: ethyl 5-cyano-6-[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfanyl-pyridine-2-carboxylate Openeye Name: ethyl 6-[2-(allylamino)-1-methyl-2-oxo-ethyl]sulfanyl-5-cyano-pyridine-2-carboxylate CAS Name: 5-cyano-6-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]thio]-2-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylpyridine-2-carboxylate Traditional Name: 6-[[2-(allylamino)-2-keto-1-methyl-ethyl]thio]-5-cyano-picolinic acid ethyl ester Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=C(C=C1)C#N)SC(C)C(=O)NCC=C

Isomeric SMILES

CCOC(=O)C1=NC(=C(C=C1)C#N)SC(C)C(=O)NCC=C

InChI

InChI=1S/C15H17N3O3S/c1-4-8-17-13(19)10(3)22-14-11(9-16)6-7-12(18-14)15(20)21-5-2/h4,6-7,10H,1,5,8H2,2-3H3,(H,17,19)