propan-2-yl 4-(3-cyano-6-ethyl-4-methyl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: propan-2-yl 4-(3-cyano-6-ethyl-4-methyl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: isopropyl 4-[(3-cyano-6-ethyl-4-methyl-2-pyridyl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(3-cyano-6-ethyl-4-methyl-2-pyridinyl)thio]-3-oxobutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3-cyano-6-ethyl-4-methylpyridin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[(3-cyano-6-ethyl-4-methyl-2-pyridyl)thio]-3-keto-butyric acid isopropyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=C1)C)C#N)SCC(=O)CC(=O)OC(C)C

Isomeric SMILES

CCC1=NC(=C(C(=C1)C)C#N)SCC(=O)CC(=O)OC(C)C

InChI

InChI=1S/C16H20N2O3S/c1-5-12-6-11(4)14(8-17)16(18-12)22-9-13(19)7-15(20)21-10(2)3/h6,10H,5,7,9H2,1-4H3