(phenylmethyl) 2-phenylazanyl-3-sulfanyl-propanoate

Systemtic Name: (phenylmethyl) 2-phenylazanyl-3-sulfanyl-propanoate Openeye Name: benzyl 2-anilino-3-sulfanyl-propanoate CAS Name: 2-anilino-3-mercaptopropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-anilino-3-sulfanylpropanoate Traditional Name: 2-anilino-3-mercapto-propionic acid benzyl ester Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CS)NC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CS)NC2=CC=CC=C2

InChI

InChI=1S/C16H17NO2S/c18-16(19-11-13-7-3-1-4-8-13)15(12-20)17-14-9-5-2-6-10-14/h1-10,15,17,20H,11-12H2