methyl 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylsulfonylmethyl)phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylsulfonylmethyl)phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(3-pyridylsulfonylmethyl)benzoyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-(3-pyridinylsulfonylmethyl)phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylsulfonylmethyl)benzoyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-(3-pyridylsulfonylmethyl)benzoyl]amino]butyric acid methyl ester Formula: C25H26N2O5S2 MolecularWeight: 498.61434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O5S2/c1-32-25(29)23(12-14-33-2)27-24(28)21-11-10-18(15-22(21)19-7-4-3-5-8-19)17-34(30,31)20-9-6-13-26-16-20/h3-11,13,15-16,23H,12,14,17H2,1-2H3,(H,27,28)