2-[2-(6-chloranyl-1,3-benzothiazol-2-yl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-(6-chloranyl-1,3-benzothiazol-2-yl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[2-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid CAS Name: 2-[2-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid IUPAC Name: 2-[2-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid Traditional Name: 2-[1-(6-chloro-1,3-benzothiazol-2-yl)-5-keto-3-methyl-3-pyrazolin-4-yl]acetic acid Formula: C13H10ClN3O3S MolecularWeight: 323.7548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC3=C(S2)C=C(C=C3)Cl)CC(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC3=C(S2)C=C(C=C3)Cl)CC(=O)O

InChI

InChI=1S/C13H10ClN3O3S/c1-6-8(5-11(18)19)12(20)17(16-6)13-15-9-3-2-7(14)4-10(9)21-13/h2-4,16H,5H2,1H3,(H,18,19)