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

Systemtic Name: methyl 2-[[3-methyl-2-(phenylcarbonylsulfanylmethyl)butanoyl]-(4-phenylphenyl)amino]propanoate Openeye Name: methyl 2-(N-[2-(benzoylsulfanylmethyl)-3-methyl-butanoyl]-4-phenyl-anilino)propanoate CAS Name: 2-(N-[2-[(benzoylthio)methyl]-3-methyl-1-oxobutyl]-4-phenylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(N-[2-(benzoylsulfanylmethyl)-3-methylbutanoyl]-4-phenylanilino)propanoate Traditional Name: 2-(N-[2-[(benzoylthio)methyl]-3-methyl-butanoyl]-4-phenyl-anilino)propionic acid methyl ester Formula: C29H31NO4S MolecularWeight: 489.62574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO4S/c1-20(2)26(19-35-29(33)24-13-9-6-10-14-24)27(31)30(21(3)28(32)34-4)25-17-15-23(16-18-25)22-11-7-5-8-12-22/h5-18,20-21,26H,19H2,1-4H3