methyl (3Z)-2-(1,3-benzothiazol-2-yl)-5-methyl-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrazole-4-carboxylate

Systemtic Name: methyl (3Z)-2-(1,3-benzothiazol-2-yl)-5-methyl-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrazole-4-carboxylate Openeye Name: methyl (3Z)-2-(1,3-benzothiazol-2-yl)-5-methyl-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrazole-4-carboxylate CAS Name: (3Z)-2-(1,3-benzothiazol-2-yl)-5-methyl-3-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl (3Z)-2-(1,3-benzothiazol-2-yl)-5-methyl-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrazole-4-carboxylate Traditional Name: (5Z)-1-(1,3-benzothiazol-2-yl)-5-(6-ketocyclohexa-2,4-dien-1-ylidene)-3-methyl-3-pyrazoline-4-carboxylic acid methyl ester Formula: C19H15N3O3S MolecularWeight: 365.4057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=CC=CC2=O)N(N1)C3=NC4=CC=CC=C4S3)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C/2\C=CC=CC2=O)/N(N1)C3=NC4=CC=CC=C4S3)C(=O)OC

InChI

InChI=1S/C19H15N3O3S/c1-11-16(18(24)25-2)17(12-7-3-5-9-14(12)23)22(21-11)19-20-13-8-4-6-10-15(13)26-19/h3-10,21H,1-2H3/b17-12-