[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-oxidanylidene-2-phenyl-1,4-dihydropyridazine-6-carboxylate

Systemtic Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-oxidanylidene-2-phenyl-1,4-dihydropyridazine-6-carboxylate Openeye Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-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-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3-oxo-2-phenyl-1,4-dihydropyridazine-6-carboxylate Traditional Name: 3-keto-2-phenyl-1,4-dihydropyridazine-6-carboxylic acid [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=CCC(=O)N(N3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=CCC(=O)N(N3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C22H20N4O4S/c23-12-16-15-8-4-5-9-18(15)31-21(16)24-19(27)13-30-22(29)17-10-11-20(28)26(25-17)14-6-2-1-3-7-14/h1-3,6-7,10,25H,4-5,8-9,11,13H2,(H,24,27)