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

Systemtic Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-[2-(1,3-thiazol-2-yl)ethanoylamino]phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-[(2-thiazol-2-ylacetyl)amino]benzoyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[4-[[1-oxo-2-(2-thiazolyl)ethyl]amino]-2-phenylphenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-[[2-(1,3-thiazol-2-yl)acetyl]amino]benzoyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-[(2-thiazol-2-ylacetyl)amino]benzoyl]amino]butyric acid methyl ester Formula: C24H25N3O4S2 MolecularWeight: 483.603

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NC(=O)CC2=NC=CS2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NC(=O)CC2=NC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C24H25N3O4S2/c1-31-24(30)20(10-12-32-2)27-23(29)18-9-8-17(14-19(18)16-6-4-3-5-7-16)26-21(28)15-22-25-11-13-33-22/h3-9,11,13-14,20H,10,12,15H2,1-2H3,(H,26,28)(H,27,29)