2-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-[(4-methyl-1,3-benzothiazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCN3C(=CC=N3)C(=O)O

InChI

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