ethyl 5-[(4-butylcyclohexyl)carbonylamino]-3-(4-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-[(4-butylcyclohexyl)carbonylamino]-3-(4-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[(4-butylcyclohexanecarbonyl)amino]-4-oxo-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[(4-butylcyclohexyl)-oxomethyl]amino]-3-(4-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-butylcyclohexanecarbonyl)amino]-3-(4-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-[(4-butylcyclohexanecarbonyl)amino]-4-keto-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NC2=C3C(=CS2)C(=NN(C3=O)C4=CC=C(C=C4)C)C(=O)OCC

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NC2=C3C(=CS2)C(=NN(C3=O)C4=CC=C(C=C4)C)C(=O)OCC

InChI

InChI=1S/C27H33N3O4S/c1-4-6-7-18-10-12-19(13-11-18)24(31)28-25-22-21(16-35-25)23(27(33)34-5-2)29-30(26(22)32)20-14-8-17(3)9-15-20/h8-9,14-16,18-19H,4-7,10-13H2,1-3H3,(H,28,31)