[2-[2-(4-bromophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate

Systemtic Name: [2-[2-(4-bromophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Openeye Name: [2-[2-(4-bromobenzoyl)hydrazino]-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-thiophenecarboxylic acid [2-[[(4-bromophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid [2-[N'-(4-bromobenzoyl)hydrazino]-2-keto-ethyl] ester Formula: C21H14BrN3O4S2 MolecularWeight: 516.38756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(S3)C(=O)OCC(=O)NNC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(S3)C(=O)OCC(=O)NNC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H14BrN3O4S2/c22-13-7-5-12(6-8-13)19(27)25-24-18(26)11-29-21(28)17-10-9-16(30-17)20-23-14-3-1-2-4-15(14)31-20/h1-10H,11H2,(H,24,26)(H,25,27)