2-[4-(2-chloranylethanoylamino)-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoic acid

Systemtic Name: 2-[4-(2-chloranylethanoylamino)-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoic acid Openeye Name: 2-[4-[(2-chloroacetyl)amino]-1,1,3-trioxo-1,2-benzothiazol-2-yl]acetic acid CAS Name: 2-[4-[(2-chloro-1-oxoethyl)amino]-1,1,3-trioxo-1,2-benzothiazol-2-yl]acetic acid IUPAC Name: 2-[4-[(2-chloroacetyl)amino]-1,1,3-trioxo-1,2-benzothiazol-2-yl]acetic acid Traditional Name: 2-[4-[(2-chloroacetyl)amino]-1,1,3-triketo-1,2-benzothiazol-2-yl]acetic acid Formula: C11H9ClN2O6S MolecularWeight: 332.71696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)S(=O)(=O)N(C2=O)CC(=O)O)NC(=O)CCl

Isomeric SMILES

C1=CC(=C2C(=C1)S(=O)(=O)N(C2=O)CC(=O)O)NC(=O)CCl

InChI

InChI=1S/C11H9ClN2O6S/c12-4-8(15)13-6-2-1-3-7-10(6)11(18)14(5-9(16)17)21(7,19)20/h1-3H,4-5H2,(H,13,15)(H,16,17)