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

Systemtic Name: ethyl 2-[(4-oxidanylidene-1-phenyl-pyridazin-3-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(4-oxo-1-phenyl-pyridazine-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[oxo-(4-oxo-1-phenyl-3-pyridazinyl)methyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-oxo-1-phenylpyridazine-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-keto-1-phenyl-pyridazine-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H16N4O4S MolecularWeight: 420.44114

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O4S/c1-2-29-20(28)13-8-9-15-17(12-13)30-21(22-15)23-19(27)18-16(26)10-11-25(24-18)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,22,23,27)