methyl 4-methylsulfanyl-2-[(2-phenyl-4-phenylmethoxy-phenyl)carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[(2-phenyl-4-phenylmethoxy-phenyl)carbonylamino]butanoate Openeye Name: methyl 2-[(4-benzyloxy-2-phenyl-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-[[oxo-(2-phenyl-4-phenylmethoxyphenyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[(2-phenyl-4-phenylmethoxybenzoyl)amino]butanoate Traditional Name: 2-[(4-benzoxy-2-phenyl-benzoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H27NO4S/c1-30-26(29)24(15-16-32-2)27-25(28)22-14-13-21(31-18-19-9-5-3-6-10-19)17-23(22)20-11-7-4-8-12-20/h3-14,17,24H,15-16,18H2,1-2H3,(H,27,28)