[(Z,3S)-2,2,6-trimethyl-1-oxidanylidene-7-phenylsulfanyl-hept-5-en-3-yl] ethanoate

Systemtic Name: [(Z,3S)-2,2,6-trimethyl-1-oxidanylidene-7-phenylsulfanyl-hept-5-en-3-yl] ethanoate Openeye Name: [(Z,1S)-1-(1,1-dimethyl-2-oxo-ethyl)-4-methyl-5-phenylsulfanyl-pent-3-enyl] acetate CAS Name: acetic acid [(Z,3S)-2,2,6-trimethyl-1-oxo-7-(phenylthio)hept-5-en-3-yl] ester IUPAC Name: [(Z,3S)-2,2,6-trimethyl-1-oxo-7-phenylsulfanylhept-5-en-3-yl] acetate Traditional Name: acetic acid [(Z,1S)-1-(2-keto-1,1-dimethyl-ethyl)-4-methyl-5-(phenylthio)pent-3-enyl] ester Formula: C18H24O3S MolecularWeight: 320.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(C(C)(C)C=O)OC(=O)C)CSC1=CC=CC=C1

Isomeric SMILES

C/C(=C/C[C@@H](C(C)(C)C=O)OC(=O)C)/CSC1=CC=CC=C1

InChI

InChI=1S/C18H24O3S/c1-14(12-22-16-8-6-5-7-9-16)10-11-17(21-15(2)20)18(3,4)13-19/h5-10,13,17H,11-12H2,1-4H3/b14-10-/t17-/m0/s1