ethyl (E)-4-methyl-4-oxidanyl-3-phenylsulfanyl-2-(phenylsulfinyl)pent-2-enoate

Systemtic Name: ethyl (E)-4-methyl-4-oxidanyl-3-phenylsulfanyl-2-(phenylsulfinyl)pent-2-enoate Openeye Name: ethyl (E)-2-(benzenesulfinyl)-4-hydroxy-4-methyl-3-phenylsulfanyl-pent-2-enoate CAS Name: (E)-2-(benzenesulfinyl)-4-hydroxy-4-methyl-3-(phenylthio)-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E)-2-(benzenesulfinyl)-4-hydroxy-4-methyl-3-phenylsulfanylpent-2-enoate Traditional Name: (E)-2-(benzenesulfinyl)-4-hydroxy-4-methyl-3-(phenylthio)pent-2-enoic acid ethyl ester Formula: C20H22O4S2 MolecularWeight: 390.51628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C(C)(C)O)SC1=CC=CC=C1)S(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C(/C(C)(C)O)\SC1=CC=CC=C1)/S(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H22O4S2/c1-4-24-19(21)17(26(23)16-13-9-6-10-14-16)18(20(2,3)22)25-15-11-7-5-8-12-15/h5-14,22H,4H2,1-3H3/b18-17+