[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-oxidanylidene-2-phenyl-1,4-dihydropyridazine-6-carboxylate

Systemtic Name: [2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-oxidanylidene-2-phenyl-1,4-dihydropyridazine-6-carboxylate Openeye Name: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl] 3-oxo-2-phenyl-1,4-dihydropyridazine-6-carboxylate CAS Name: 3-oxo-2-phenyl-1,4-dihydropyridazine-6-carboxylic acid [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 3-oxo-2-phenyl-1,4-dihydropyridazine-6-carboxylate Traditional Name: 3-keto-2-phenyl-1,4-dihydropyridazine-6-carboxylic acid [2-keto-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl] ester Formula: C27H22N4O4S MolecularWeight: 498.55298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CCC(=O)N(N4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CCC(=O)N(N4)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4O4S/c1-17-7-12-21-23(15-17)36-26(29-21)18-8-10-19(11-9-18)28-24(32)16-35-27(34)22-13-14-25(33)31(30-22)20-5-3-2-4-6-20/h2-13,15,30H,14,16H2,1H3,(H,28,32)