4-methylsulfanyl-2-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]butanoic acid CAS Name: 4-(methylthio)-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]butanoic acid Traditional Name: 2-[(3-keto-4H-1,4-benzoxazin-6-yl)sulfonylamino]-4-(methylthio)butyric acid Formula: C13H16N2O6S2 MolecularWeight: 360.40594

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OCC(=O)N2

Isomeric SMILES

CSCCC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OCC(=O)N2

InChI

InChI=1S/C13H16N2O6S2/c1-22-5-4-9(13(17)18)15-23(19,20)8-2-3-11-10(6-8)14-12(16)7-21-11/h2-3,6,9,15H,4-5,7H2,1H3,(H,14,16)(H,17,18)