2-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid Formula: C15H14N4O3S MolecularWeight: 330.36166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C15H14N4O3S/c1-9-2-3-10-12(8-9)23-15(17-10)18-13(20)5-7-19-11(14(21)22)4-6-16-19/h2-4,6,8H,5,7H2,1H3,(H,21,22)(H,17,18,20)