methyl 2-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]-3-[3-(phenylmethylsulfanyl)phenyl]propanoate

Systemtic Name: methyl 2-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]-3-[3-(phenylmethylsulfanyl)phenyl]propanoate Openeye Name: methyl 2-[(2-benzyloxy-2-oxo-ethyl)amino]-3-(3-benzylsulfanylphenyl)propanoate CAS Name: 2-[(2-oxo-2-phenylmethoxyethyl)amino]-3-[3-(phenylmethylthio)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-(3-benzylsulfanylphenyl)-2-[(2-oxo-2-phenylmethoxyethyl)amino]propanoate Traditional Name: 2-[(2-benzoxy-2-keto-ethyl)amino]-3-[3-(benzylthio)phenyl]propionic acid methyl ester Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=CC=C1)SCC2=CC=CC=C2)NCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC1=CC(=CC=C1)SCC2=CC=CC=C2)NCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H27NO4S/c1-30-26(29)24(27-17-25(28)31-18-20-9-4-2-5-10-20)16-22-13-8-14-23(15-22)32-19-21-11-6-3-7-12-21/h2-15,24,27H,16-19H2,1H3