(3R)-2-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-ethylsulfanyl-3H-isoindol-1-one

Systemtic Name: (3R)-2-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-ethylsulfanyl-3H-isoindol-1-one Openeye Name: (3R)-2-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-ethylsulfanyl-isoindolin-1-one CAS Name: (3R)-2-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-(ethylthio)-3H-isoindol-1-one IUPAC Name: (3R)-2-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-ethylsulfanyl-3H-isoindol-1-one Traditional Name: (3R)-2-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-(ethylthio)isoindolin-1-one Formula: C18H25NOS MolecularWeight: 303.4622

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C2=CC=CC=C2C(=O)N1C3CCCC(C3C)C

Isomeric SMILES

CCS[C@@H]1C2=CC=CC=C2C(=O)N1[C@H]3CCC[C@H]([C@@H]3C)C

InChI

InChI=1S/C18H25NOS/c1-4-21-18-15-10-6-5-9-14(15)17(20)19(18)16-11-7-8-12(2)13(16)3/h5-6,9-10,12-13,16,18H,4,7-8,11H2,1-3H3/t12-,13+,16+,18-/m1/s1