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

Systemtic Name: 2-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid CAS Name: 2-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid IUPAC Name: 2-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid Traditional Name: 2-[5-keto-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-3-pyrazolin-4-yl]acetic acid Formula: C14H13N3O4S MolecularWeight: 319.33572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4S/c1-7-9(6-12(18)19)13(20)17(16-7)14-15-10-4-3-8(21-2)5-11(10)22-14/h3-5,16H,6H2,1-2H3,(H,18,19)