(3-oxidanylidene-4-phenylsulfanyl-butan-2-yl) ethanoate

Systemtic Name: (3-oxidanylidene-4-phenylsulfanyl-butan-2-yl) ethanoate Openeye Name: (1-methyl-2-oxo-3-phenylsulfanyl-propyl) acetate CAS Name: acetic acid [3-oxo-4-(phenylthio)butan-2-yl] ester IUPAC Name: (3-oxo-4-phenylsulfanylbutan-2-yl) acetate Traditional Name: acetic acid [2-keto-1-methyl-3-(phenylthio)propyl] ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O3S/c1-9(15-10(2)13)12(14)8-16-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3