(3-phenylpropanoylamino) 2-(sulfanylmethyl)benzoate

Systemtic Name: (3-phenylpropanoylamino) 2-(sulfanylmethyl)benzoate Openeye Name: (3-phenylpropanoylamino) 2-(sulfanylmethyl)benzoate CAS Name: 2-(mercaptomethyl)benzoic acid [(1-oxo-3-phenylpropyl)amino] ester IUPAC Name: (3-phenylpropanoylamino) 2-(sulfanylmethyl)benzoate Traditional Name: 2-(mercaptomethyl)benzoic acid (hydrocinnamoylamino) ester Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NOC(=O)C2=CC=CC=C2CS

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NOC(=O)C2=CC=CC=C2CS

InChI

InChI=1S/C17H17NO3S/c19-16(11-10-13-6-2-1-3-7-13)18-21-17(20)15-9-5-4-8-14(15)12-22/h1-9,22H,10-12H2,(H,18,19)