(3-methyl-1,2-oxazol-5-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: (3-methylisoxazol-5-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[(4-methoxyphenyl)sulfonylamino]-4-(methylthio)butanoic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-methoxyphenyl)sulfonylamino]-4-(methylthio)butyric acid (3-methylisoxazol-5-yl)methyl ester Formula: C17H22N2O6S2 MolecularWeight: 414.49638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)COC(=O)C(CCSC)NS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=NOC(=C1)COC(=O)C(CCSC)NS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H22N2O6S2/c1-12-10-14(25-18-12)11-24-17(20)16(8-9-26-3)19-27(21,22)15-6-4-13(23-2)5-7-15/h4-7,10,16,19H,8-9,11H2,1-3H3