1-methyl-5-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[[(4-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazole-4-carboxylic acid Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=C(C=NN3C)C(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=C(C=NN3C)C(=O)O

InChI

InChI=1S/C14H12N4O3S/c1-7-4-3-5-9-10(7)16-14(22-9)17-12(19)11-8(13(20)21)6-15-18(11)2/h3-6H,1-2H3,(H,20,21)(H,16,17,19)