4-(1,3-benzothiazol-2-yl)-5-(3-methyl-2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylate

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-5-(3-methyl-2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylate Openeye Name: 4-(1,3-benzothiazol-2-yl)-5-(2-hydroxy-3-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylate CAS Name: 4-(1,3-benzothiazol-2-yl)-5-(2-hydroxy-3-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)-1,2-dihydropyrazole-3-carboxylate IUPAC Name: 4-(1,3-benzothiazol-2-yl)-5-(2-hydroxy-3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylate Traditional Name: 4-(1,3-benzothiazol-2-yl)-5-(2-hydroxy-4-keto-3-methyl-cyclohexa-2,5-dien-1-ylidene)-3-pyrazoline-3-carboxylate Formula: C18H12N3O4S- MolecularWeight: 366.37058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C(NN2)C(=O)[O-])C3=NC4=CC=CC=C4S3)C=CC1=O)O

Isomeric SMILES

CC1=C(C(=C2C(=C(NN2)C(=O)[O-])C3=NC4=CC=CC=C4S3)C=CC1=O)O

InChI

InChI=1S/C18H13N3O4S/c1-8-11(22)7-6-9(16(8)23)14-13(15(18(24)25)21-20-14)17-19-10-4-2-3-5-12(10)26-17/h2-7,20-21,23H,1H3,(H,24,25)/p-1