methyl 2-(phenylmethyl)-3-sulfanyl-benzoate

Systemtic Name: methyl 2-(phenylmethyl)-3-sulfanyl-benzoate Openeye Name: methyl 2-benzyl-3-sulfanyl-benzoate CAS Name: 3-mercapto-2-(phenylmethyl)benzoic acid methyl ester IUPAC Name: methyl 2-benzyl-3-sulfanylbenzoate Traditional Name: 2-benzyl-3-mercapto-benzoic acid methyl ester Formula: C15H14O2S MolecularWeight: 258.33546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)S)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)S)CC2=CC=CC=C2

InChI

InChI=1S/C15H14O2S/c1-17-15(16)12-8-5-9-14(18)13(12)10-11-6-3-2-4-7-11/h2-9,18H,10H2,1H3