methyl 2-[(3-cyano-4-cyclohex-3-en-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(3-cyano-4-cyclohex-3-en-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(3-cyano-4-cyclohex-3-en-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(1-cyclohex-3-enyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(3-cyano-4-cyclohex-3-en-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-4-cyclohex-3-en-1-yl-1-pyrindan-2-yl)thio]acetic acid methyl ester Formula: C18H20N2O2S MolecularWeight: 328.4286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(CCC2)C(=C1C#N)C3CCC=CC3

Isomeric SMILES

COC(=O)CSC1=NC2=C(CCC2)C(=C1C#N)C3CCC=CC3

InChI

InChI=1S/C18H20N2O2S/c1-22-16(21)11-23-18-14(10-19)17(12-6-3-2-4-7-12)13-8-5-9-15(13)20-18/h2-3,12H,4-9,11H2,1H3