propan-2-yl 4-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: propan-2-yl 4-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: isopropyl 4-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]-3-oxobutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate Traditional Name: 4-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]-3-keto-butyric acid isopropyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(=O)CSC1=NC2=C(CCCCC2)C=C1C#N

Isomeric SMILES

CC(C)OC(=O)CC(=O)CSC1=NC2=C(CCCCC2)C=C1C#N

InChI

InChI=1S/C18H22N2O3S/c1-12(2)23-17(22)9-15(21)11-24-18-14(10-19)8-13-6-4-3-5-7-16(13)20-18/h8,12H,3-7,9,11H2,1-2H3