methyl 2-[phenyl(phenylmethoxycarbonyl)amino]-3-sulfanyl-propanoate

Systemtic Name: methyl 2-[phenyl(phenylmethoxycarbonyl)amino]-3-sulfanyl-propanoate Openeye Name: methyl 2-(N-benzyloxycarbonylanilino)-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-(N-phenylmethoxycarbonylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(N-phenylmethoxycarbonylanilino)-3-sulfanylpropanoate Traditional Name: 2-(N-carbobenzoxyanilino)-3-mercapto-propionic acid methyl ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CS)N(C1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CS)N(C1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H19NO4S/c1-22-17(20)16(13-24)19(15-10-6-3-7-11-15)18(21)23-12-14-8-4-2-5-9-14/h2-11,16,24H,12-13H2,1H3