methyl 5-[(1S)-4-methylcyclohex-3-en-1-yl]-2-pyridin-2-ylsulfanyl-hexanoate

Systemtic Name: methyl 5-[(1S)-4-methylcyclohex-3-en-1-yl]-2-pyridin-2-ylsulfanyl-hexanoate Openeye Name: methyl 5-[(1S)-4-methylcyclohex-3-en-1-yl]-2-(2-pyridylsulfanyl)hexanoate CAS Name: 5-[(1S)-4-methyl-1-cyclohex-3-enyl]-2-(2-pyridinylthio)hexanoic acid methyl ester IUPAC Name: methyl 5-[(1S)-4-methylcyclohex-3-en-1-yl]-2-pyridin-2-ylsulfanylhexanoate Traditional Name: 5-[(1S)-4-methylcyclohex-3-en-1-yl]-2-(2-pyridylthio)hexanoic acid methyl ester Formula: C19H27NO2S MolecularWeight: 333.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(CC1)C(C)CCC(C(=O)OC)SC2=CC=CC=N2

Isomeric SMILES

CC1=CC[C@H](CC1)C(C)CCC(C(=O)OC)SC2=CC=CC=N2

InChI

InChI=1S/C19H27NO2S/c1-14-7-10-16(11-8-14)15(2)9-12-17(19(21)22-3)23-18-6-4-5-13-20-18/h4-7,13,15-17H,8-12H2,1-3H3/t15?,16-,17?/m1/s1