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

Systemtic Name: methyl 4-methylsulfanyl-2-[(2-phenyl-4-pyridin-2-ylsulfanyl-phenyl)carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(2-pyridylsulfanyl)benzoyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-(2-pyridinylthio)phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[(2-phenyl-4-pyridin-2-ylsulfanylbenzoyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-(2-pyridylthio)benzoyl]amino]butyric acid methyl ester Formula: C24H24N2O3S2 MolecularWeight: 452.58896

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)SC2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)SC2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C24H24N2O3S2/c1-29-24(28)21(13-15-30-2)26-23(27)19-12-11-18(31-22-10-6-7-14-25-22)16-20(19)17-8-4-3-5-9-17/h3-12,14,16,21H,13,15H2,1-2H3,(H,26,27)