[1-[(3R,4S)-2,5-bis(oxidanylidene)-4-phenylsulfanyl-oxolan-3-yl]-3-methyl-butyl] ethanoate

Systemtic Name: [1-[(3R,4S)-2,5-bis(oxidanylidene)-4-phenylsulfanyl-oxolan-3-yl]-3-methyl-butyl] ethanoate Openeye Name: [1-[(3R,4S)-2,5-dioxo-4-phenylsulfanyl-tetrahydrofuran-3-yl]-3-methyl-butyl] acetate CAS Name: acetic acid [1-[(3R,4S)-2,5-dioxo-4-(phenylthio)-3-oxolanyl]-3-methylbutyl] ester IUPAC Name: [1-[(3R,4S)-2,5-dioxo-4-phenylsulfanyloxolan-3-yl]-3-methylbutyl] acetate Traditional Name: acetic acid [1-[(3R,4S)-2,5-diketo-4-(phenylthio)tetrahydrofuran-3-yl]-3-methyl-butyl] ester Formula: C17H20O5S MolecularWeight: 336.4027

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1C(C(=O)OC1=O)SC2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CC(C)CC([C@H]1[C@@H](C(=O)OC1=O)SC2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C17H20O5S/c1-10(2)9-13(21-11(3)18)14-15(17(20)22-16(14)19)23-12-7-5-4-6-8-12/h4-8,10,13-15H,9H2,1-3H3/t13?,14-,15-/m0/s1