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

Systemtic Name: 4-[(4-chloranyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(4-chloro-1,3-benzothiazol-2-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(4-chloro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(4-chloro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(4-chloro-1,3-benzothiazol-2-yl)amino]-4-keto-butyric acid Formula: C11H9ClN2O3S MolecularWeight: 284.71876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)N=C(S2)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)N=C(S2)NC(=O)CCC(=O)O

InChI

InChI=1S/C11H9ClN2O3S/c12-6-2-1-3-7-10(6)14-11(18-7)13-8(15)4-5-9(16)17/h1-3H,4-5H2,(H,16,17)(H,13,14,15)