methyl 4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazolidin-4-ylmethylamino)phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazolidin-4-ylmethylamino)phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(thiazolidin-4-ylmethylamino)benzoyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-(4-thiazolidinylmethylamino)phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazolidin-4-ylmethylamino)benzoyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-(thiazolidin-4-ylmethylamino)benzoyl]amino]butyric acid methyl ester Formula: C23H29N3O3S2 MolecularWeight: 459.62466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NCC2CSCN2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NCC2CSCN2)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3S2/c1-29-23(28)21(10-11-30-2)26-22(27)19-9-8-17(24-13-18-14-31-15-25-18)12-20(19)16-6-4-3-5-7-16/h3-9,12,18,21,24-25H,10-11,13-15H2,1-2H3,(H,26,27)