methyl 4-methylsulfanyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)carbonylamino]butanoate Openeye Name: methyl 2-[(2-isopropyl-1,3-benzoxazole-5-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-[[oxo-(2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)amino]butanoate Traditional Name: 2-[(2-isopropyl-1,3-benzoxazole-5-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(O1)C=CC(=C2)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC(C)C1=NC2=C(O1)C=CC(=C2)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C17H22N2O4S/c1-10(2)16-19-13-9-11(5-6-14(13)23-16)15(20)18-12(7-8-24-4)17(21)22-3/h5-6,9-10,12H,7-8H2,1-4H3,(H,18,20)