methyl 4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazol-2-yl)phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazol-2-yl)phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[(2-phenyl-4-thiazol-2-yl-benzoyl)amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-(2-thiazolyl)phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazol-2-yl)benzoyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[(2-phenyl-4-thiazol-2-yl-benzoyl)amino]butyric acid methyl ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)C2=NC=CS2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)C2=NC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S2/c1-27-22(26)19(10-12-28-2)24-20(25)17-9-8-16(21-23-11-13-29-21)14-18(17)15-6-4-3-5-7-15/h3-9,11,13-14,19H,10,12H2,1-2H3,(H,24,25)