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

Systemtic Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazol-2-ylcarbonyl)phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(thiazole-2-carbonyl)benzoyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[4-[oxo(2-thiazolyl)methyl]-2-phenylphenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazole-2-carbonyl)benzoyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-(thiazole-2-carbonyl)benzoyl]amino]butyric acid methyl ester Formula: C23H22N2O4S2 MolecularWeight: 454.56178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O4S2/c1-29-23(28)19(10-12-30-2)25-21(27)17-9-8-16(20(26)22-24-11-13-31-22)14-18(17)15-6-4-3-5-7-15/h3-9,11,13-14,19H,10,12H2,1-2H3,(H,25,27)