4-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(6-bromo-1,3-benzothiazol-2-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(6-bromo-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(6-bromo-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(6-bromo-1,3-benzothiazol-2-yl)amino]-4-keto-butyric acid Formula: C11H9BrN2O3S MolecularWeight: 329.16976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)SC(=N2)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Br)SC(=N2)NC(=O)CCC(=O)O

InChI

InChI=1S/C11H9BrN2O3S/c12-6-1-2-7-8(5-6)18-11(13-7)14-9(15)3-4-10(16)17/h1-2,5H,3-4H2,(H,16,17)(H,13,14,15)