ethyl 5-cyano-2-methyl-6-[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 6-[[(1R)-2-(allylamino)-2-keto-1-methyl-ethyl]thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)S[C@H](C)C(=O)NCC=C)C

InChI

InChI=1S/C16H19N3O3S/c1-5-7-18-14(20)11(4)23-15-12(9-17)8-13(10(3)19-15)16(21)22-6-2/h5,8,11H,1,6-7H2,2-4H3,(H,18,20)/t11-/m1/s1