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

Systemtic Name: ethyl 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-3-oxo-butanoate CAS Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate Traditional Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]-3-keto-butyric acid ethyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=NC2=C(CCCCC2)C=C1C#N

Isomeric SMILES

CCOC(=O)C(C(=O)C)SC1=NC2=C(CCCCC2)C=C1C#N

InChI

InChI=1S/C17H20N2O3S/c1-3-22-17(21)15(11(2)20)23-16-13(10-18)9-12-7-5-4-6-8-14(12)19-16/h9,15H,3-8H2,1-2H3