S-(3-methanoyl-4-phenyl-butyl) benzenecarbothioate

Systemtic Name: S-(3-methanoyl-4-phenyl-butyl) benzenecarbothioate Openeye Name: S-(3-benzyl-4-oxo-butyl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(3-formyl-4-phenylbutyl) ester IUPAC Name: S-(3-benzyl-4-oxobutyl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(3-benzyl-4-keto-butyl) ester Formula: C18H18O2S MolecularWeight: 298.39932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CCSC(=O)C2=CC=CC=C2)C=O

Isomeric SMILES

C1=CC=C(C=C1)CC(CCSC(=O)C2=CC=CC=C2)C=O

InChI

InChI=1S/C18H18O2S/c19-14-16(13-15-7-3-1-4-8-15)11-12-21-18(20)17-9-5-2-6-10-17/h1-10,14,16H,11-13H2