methyl (2S,3E)-3-[(2R)-2-[(1S)-2-ethoxy-2-oxidanylidene-1-phenylsulfanyl-ethyl]cyclohexylidene]-2-methyl-propanoate

Systemtic Name: methyl (2S,3E)-3-[(2R)-2-[(1S)-2-ethoxy-2-oxidanylidene-1-phenylsulfanyl-ethyl]cyclohexylidene]-2-methyl-propanoate Openeye Name: methyl (2S,3E)-3-[(2R)-2-[(1S)-2-ethoxy-2-oxo-1-phenylsulfanyl-ethyl]cyclohexylidene]-2-methyl-propanoate CAS Name: (2S,3E)-3-[(2R)-2-[(1S)-2-ethoxy-2-oxo-1-(phenylthio)ethyl]cyclohexylidene]-2-methylpropanoic acid methyl ester IUPAC Name: methyl (2S,3E)-3-[(2R)-2-[(1S)-2-ethoxy-2-oxo-1-phenylsulfanylethyl]cyclohexylidene]-2-methylpropanoate Traditional Name: (2S,3E)-3-[(2R)-2-[(1S)-2-ethoxy-2-keto-1-(phenylthio)ethyl]cyclohexylidene]-2-methyl-propionic acid methyl ester Formula: C21H28O4S MolecularWeight: 376.50962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CCCCC1=CC(C)C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H]([C@@H]\1CCCC/C1=C\[C@H](C)C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C21H28O4S/c1-4-25-21(23)19(26-17-11-6-5-7-12-17)18-13-9-8-10-16(18)14-15(2)20(22)24-3/h5-7,11-12,14-15,18-19H,4,8-10,13H2,1-3H3/b16-14+/t15-,18+,19-/m0/s1