4-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonylamino]butanoate

Systemtic Name: 4-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonylamino]butanoate Openeye Name: 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]butanoate CAS Name: 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]butanoate IUPAC Name: 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]butanoate Traditional Name: 4-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonylamino]butyrate Formula: C12H13N2O6S- MolecularWeight: 313.30642

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NCCCC(=O)[O-])OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NCCCC(=O)[O-])OC1=O

InChI

InChI=1S/C12H14N2O6S/c1-14-9-5-4-8(7-10(9)20-12(14)17)21(18,19)13-6-2-3-11(15)16/h4-5,7,13H,2-3,6H2,1H3,(H,15,16)/p-1