methyl 2-[(4-phenylphenyl)-[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]propanoate

Systemtic Name: methyl 2-[(4-phenylphenyl)-[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]propanoate Openeye Name: methyl 2-(N-[2-(benzoylsulfanylmethyl)-3-phenyl-propanoyl]-4-phenyl-anilino)propanoate CAS Name: 2-(N-[2-[(benzoylthio)methyl]-1-oxo-3-phenylpropyl]-4-phenylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(N-[2-(benzoylsulfanylmethyl)-3-phenylpropanoyl]-4-phenylanilino)propanoate Traditional Name: 2-(N-[2-[(benzoylthio)methyl]-3-phenyl-propanoyl]-4-phenyl-anilino)propionic acid methyl ester Formula: C33H31NO4S MolecularWeight: 537.66854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)CSC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)OC)N(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)CSC(=O)C4=CC=CC=C4

InChI

InChI=1S/C33H31NO4S/c1-24(32(36)38-2)34(30-20-18-27(19-21-30)26-14-8-4-9-15-26)31(35)29(22-25-12-6-3-7-13-25)23-39-33(37)28-16-10-5-11-17-28/h3-21,24,29H,22-23H2,1-2H3