[(1S,5R)-2-[(2-methoxy-2-oxidanylidene-ethyl)sulfanylmethyl]-5-propan-2-yl-cyclohex-2-en-1-yl] benzoate

Systemtic Name: [(1S,5R)-2-[(2-methoxy-2-oxidanylidene-ethyl)sulfanylmethyl]-5-propan-2-yl-cyclohex-2-en-1-yl] benzoate Openeye Name: [(1S,5R)-5-isopropyl-2-[(2-methoxy-2-oxo-ethyl)sulfanylmethyl]cyclohex-2-en-1-yl] benzoate CAS Name: benzoic acid [(1S,5R)-2-[[(2-methoxy-2-oxoethyl)thio]methyl]-5-propan-2-yl-1-cyclohex-2-enyl] ester IUPAC Name: [(1S,5R)-2-[(2-methoxy-2-oxoethyl)sulfanylmethyl]-5-propan-2-ylcyclohex-2-en-1-yl] benzoate Traditional Name: benzoic acid [(1S,5R)-5-isopropyl-2-[[(2-keto-2-methoxy-ethyl)thio]methyl]cyclohex-2-en-1-yl] ester Formula: C20H26O4S MolecularWeight: 362.48304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC=C(C(C1)OC(=O)C2=CC=CC=C2)CSCC(=O)OC

Isomeric SMILES

CC(C)[C@@H]1CC=C([C@H](C1)OC(=O)C2=CC=CC=C2)CSCC(=O)OC

InChI

InChI=1S/C20H26O4S/c1-14(2)16-9-10-17(12-25-13-19(21)23-3)18(11-16)24-20(22)15-7-5-4-6-8-15/h4-8,10,14,16,18H,9,11-13H2,1-3H3/t16-,18+/m1/s1