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

Systemtic Name: methyl 2-[[1-(3-methylphenyl)-4-oxidanylidene-pyridazin-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[1-(m-tolyl)-4-oxo-pyridazine-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[1-(3-methylphenyl)-4-oxo-3-pyridazinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(3-methylphenyl)-4-oxopyridazine-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-keto-1-(m-tolyl)pyridazine-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CC(=O)C(=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CC(=O)C(=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C22H21N3O4S/c1-13-6-5-7-14(12-13)25-11-10-16(26)19(24-25)20(27)23-21-18(22(28)29-2)15-8-3-4-9-17(15)30-21/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,23,27)