ethyl 2-[[1-(4-ethoxyphenyl)-4-oxidanylidene-pyridazin-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-(4-ethoxyphenyl)-4-oxidanylidene-pyridazin-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(4-ethoxyphenyl)-4-oxo-pyridazine-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[1-(4-ethoxyphenyl)-4-oxo-3-pyridazinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-ethoxyphenyl)-4-oxopyridazine-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-keto-1-p-phenetyl-pyridazine-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC

InChI

InChI=1S/C24H25N3O5S/c1-3-31-16-11-9-15(10-12-16)27-14-13-18(28)21(26-27)22(29)25-23-20(24(30)32-4-2)17-7-5-6-8-19(17)33-23/h9-14H,3-8H2,1-2H3,(H,25,29)