S-(2-ethanoyl-3-oxidanylidene-butyl) benzenecarbothioate

Systemtic Name: S-(2-ethanoyl-3-oxidanylidene-butyl) benzenecarbothioate Openeye Name: S-(2-acetyl-3-oxo-butyl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(2-acetyl-3-oxobutyl) ester IUPAC Name: S-(2-acetyl-3-oxobutyl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(2-acetyl-3-keto-butyl) ester Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CSC(=O)C1=CC=CC=C1)C(=O)C

Isomeric SMILES

CC(=O)C(CSC(=O)C1=CC=CC=C1)C(=O)C

InChI

InChI=1S/C13H14O3S/c1-9(14)12(10(2)15)8-17-13(16)11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3