methyl 3-[(1R)-1-ethyl-2-oxidanylidene-4-phenylsulfanyl-cyclohex-3-en-1-yl]propanoate

Systemtic Name: methyl 3-[(1R)-1-ethyl-2-oxidanylidene-4-phenylsulfanyl-cyclohex-3-en-1-yl]propanoate Openeye Name: methyl 3-[(1R)-1-ethyl-2-oxo-4-phenylsulfanyl-cyclohex-3-en-1-yl]propanoate CAS Name: 3-[(1R)-1-ethyl-2-oxo-4-(phenylthio)-1-cyclohex-3-enyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(1R)-1-ethyl-2-oxo-4-phenylsulfanylcyclohex-3-en-1-yl]propanoate Traditional Name: 3-[(1R)-1-ethyl-2-keto-4-(phenylthio)cyclohex-3-en-1-yl]propionic acid methyl ester Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(=CC1=O)SC2=CC=CC=C2)CCC(=O)OC

Isomeric SMILES

CC[C@]1(CCC(=CC1=O)SC2=CC=CC=C2)CCC(=O)OC

InChI

InChI=1S/C18H22O3S/c1-3-18(12-10-17(20)21-2)11-9-15(13-16(18)19)22-14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3/t18-/m0/s1