[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C21H15N3O3S3 MolecularWeight: 453.5571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)COC(=O)C3=CC4=C(C=C3)N=CS4)C5=CC=CS5

Isomeric SMILES

C1C(N(N=C1C2=CC=CS2)C(=O)COC(=O)C3=CC4=C(C=C3)N=CS4)C5=CC=CS5

InChI

InChI=1S/C21H15N3O3S3/c25-20(11-27-21(26)13-5-6-14-19(9-13)30-12-22-14)24-16(18-4-2-8-29-18)10-15(23-24)17-3-1-7-28-17/h1-9,12,16H,10-11H2