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

Systemtic Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(2-pyridin-3-ylethynyl)phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-[2-(3-pyridyl)ethynyl]benzoyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-[2-(3-pyridinyl)ethynyl]phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(2-pyridin-3-ylethynyl)benzoyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-[2-(3-pyridyl)ethynyl]benzoyl]amino]butyric acid methyl ester Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)C#CC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)C#CC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H24N2O3S/c1-31-26(30)24(14-16-32-2)28-25(29)22-13-12-19(10-11-20-7-6-15-27-18-20)17-23(22)21-8-4-3-5-9-21/h3-9,12-13,15,17-18,24H,14,16H2,1-2H3,(H,28,29)