methyl 2-[(2S,3S,4S)-2-methyl-2-(4-methylpentyl)-5-oxidanylidene-4-phenylsulfanyl-oxolan-3-yl]ethanoate

Systemtic Name: methyl 2-[(2S,3S,4S)-2-methyl-2-(4-methylpentyl)-5-oxidanylidene-4-phenylsulfanyl-oxolan-3-yl]ethanoate Openeye Name: methyl 2-[(2S,3S,4S)-2-isohexyl-2-methyl-5-oxo-4-phenylsulfanyl-tetrahydrofuran-3-yl]acetate CAS Name: 2-[(2S,3S,4S)-2-methyl-2-(4-methylpentyl)-5-oxo-4-(phenylthio)-3-oxolanyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S,3S,4S)-2-methyl-2-(4-methylpentyl)-5-oxo-4-phenylsulfanyloxolan-3-yl]acetate Traditional Name: 2-[(2S,3S,4S)-2-isohexyl-5-keto-2-methyl-4-(phenylthio)tetrahydrofuran-3-yl]acetic acid methyl ester Formula: C20H28O4S MolecularWeight: 364.49892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC1(C(C(C(=O)O1)SC2=CC=CC=C2)CC(=O)OC)C

Isomeric SMILES

CC(C)CCC[C@]1([C@@H]([C@@H](C(=O)O1)SC2=CC=CC=C2)CC(=O)OC)C

InChI

InChI=1S/C20H28O4S/c1-14(2)9-8-12-20(3)16(13-17(21)23-4)18(19(22)24-20)25-15-10-6-5-7-11-15/h5-7,10-11,14,16,18H,8-9,12-13H2,1-4H3/t16-,18+,20+/m1/s1