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

Systemtic Name: propan-2-yl 4-(3-cyano-6-pyridin-3-yl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: isopropyl 4-[[3-cyano-6-(3-pyridyl)-2-pyridyl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[3-cyano-6-(3-pyridinyl)-2-pyridinyl]thio]-3-oxobutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[[3-cyano-6-(3-pyridyl)-2-pyridyl]thio]-3-keto-butyric acid isopropyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(=O)CSC1=C(C=CC(=N1)C2=CN=CC=C2)C#N

Isomeric SMILES

CC(C)OC(=O)CC(=O)CSC1=C(C=CC(=N1)C2=CN=CC=C2)C#N

InChI

InChI=1S/C18H17N3O3S/c1-12(2)24-17(23)8-15(22)11-25-18-13(9-19)5-6-16(21-18)14-4-3-7-20-10-14/h3-7,10,12H,8,11H2,1-2H3