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

Systemtic Name: methyl 2-[[2-(phenylcarbonylsulfanylmethyl)-3-pyridin-3-yl-propanoyl]-(4-phenylphenyl)amino]propanoate Openeye Name: methyl 2-(N-[2-(benzoylsulfanylmethyl)-3-(3-pyridyl)propanoyl]-4-phenyl-anilino)propanoate CAS Name: 2-(N-[2-[(benzoylthio)methyl]-1-oxo-3-(3-pyridinyl)propyl]-4-phenylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(N-[2-(benzoylsulfanylmethyl)-3-pyridin-3-ylpropanoyl]-4-phenylanilino)propanoate Traditional Name: 2-(N-[2-[(benzoylthio)methyl]-3-(3-pyridyl)propanoyl]-4-phenyl-anilino)propionic acid methyl ester Formula: C32H30N2O4S MolecularWeight: 538.6566

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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=CN=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=CN=CC=C3)CSC(=O)C4=CC=CC=C4

InChI

InChI=1S/C32H30N2O4S/c1-23(31(36)38-2)34(29-17-15-26(16-18-29)25-11-5-3-6-12-25)30(35)28(20-24-10-9-19-33-21-24)22-39-32(37)27-13-7-4-8-14-27/h3-19,21,23,28H,20,22H2,1-2H3