ethyl 2-[[1-(3-methylphenyl)-4-oxidanylidene-pyridazin-3-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[[1-(3-methylphenyl)-4-oxidanylidene-pyridazin-3-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[1-(m-tolyl)-4-oxo-pyridazine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[1-(3-methylphenyl)-4-oxo-3-pyridazinyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(3-methylphenyl)-4-oxopyridazine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[4-keto-1-(m-tolyl)pyridazine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C=CC3=O)C4=CC=CC(=C4)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C=CC3=O)C4=CC=CC(=C4)C

InChI

InChI=1S/C22H18N4O4S/c1-3-30-21(29)14-7-8-16-18(12-14)31-22(23-16)24-20(28)19-17(27)9-10-26(25-19)15-6-4-5-13(2)11-15/h4-12H,3H2,1-2H3,(H,23,24,28)