[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxidanylidene-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxidanylidene-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxo-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-keto-ethyl] ester Formula: C20H16BrN3O3S MolecularWeight: 458.32834

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CSC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H16BrN3O3S/c21-14-7-5-13(6-8-14)15-11-16(23-22-15)20(26)27-12-19(25)24-9-10-28-18-4-2-1-3-17(18)24/h1-8,11H,9-10,12H2,(H,22,23)