[2-[(4,5-dimethyl-1-oxidanylidene-2H-furo[3,4-d]pyridazin-7-yl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(4,5-dimethyl-1-oxidanylidene-2H-furo[3,4-d]pyridazin-7-yl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)amino]-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-[(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-keto-2-[(1-keto-4,5-dimethyl-2H-furo[3,4-d]pyridazin-7-yl)amino]ethyl] ester Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)COC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4)C

Isomeric SMILES

CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)COC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4)C

InChI

InChI=1S/C22H18N4O5S/c1-12-17-13(2)31-20(18(17)19(28)26-25-12)24-16(27)11-30-22(29)15-9-6-10-23-21(15)32-14-7-4-3-5-8-14/h3-10H,11H2,1-2H3,(H,24,27)(H,26,28)