ethyl 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethoxy]-1-(3-bromophenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethoxy]-1-(3-bromophenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethoxy]-1-(3-bromophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-1-(3-bromophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-1-(3-bromophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethoxy]-1-(3-bromophenyl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C22H17BrN4O5S MolecularWeight: 529.36318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1OCC(=O)NC2=NC3=CC=CC=C3S2)C4=CC(=CC=C4)Br

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1OCC(=O)NC2=NC3=CC=CC=C3S2)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H17BrN4O5S/c1-2-31-21(30)20-16(11-19(29)27(26-20)14-7-5-6-13(23)10-14)32-12-18(28)25-22-24-15-8-3-4-9-17(15)33-22/h3-11H,2,12H2,1H3,(H,24,25,28)