methyl 5-[(1R)-1-cyanoethyl]-4-methyl-2-[[1-(3-methylphenyl)-4-oxidanylidene-pyridazin-3-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-[(1R)-1-cyanoethyl]-4-methyl-2-[[1-(3-methylphenyl)-4-oxidanylidene-pyridazin-3-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-[(1R)-1-cyanoethyl]-4-methyl-2-[[1-(m-tolyl)-4-oxo-pyridazine-3-carbonyl]amino]thiophene-3-carboxylate CAS Name: 5-[(1R)-1-cyanoethyl]-4-methyl-2-[[[1-(3-methylphenyl)-4-oxo-3-pyridazinyl]-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(1R)-1-cyanoethyl]-4-methyl-2-[[1-(3-methylphenyl)-4-oxopyridazine-3-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 5-[(1R)-1-cyanoethyl]-2-[[4-keto-1-(m-tolyl)pyridazine-3-carbonyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CC(=O)C(=N2)C(=O)NC3=C(C(=C(S3)C(C)C#N)C)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CC(=O)C(=N2)C(=O)NC3=C(C(=C(S3)[C@H](C)C#N)C)C(=O)OC

InChI

InChI=1S/C22H20N4O4S/c1-12-6-5-7-15(10-12)26-9-8-16(27)18(25-26)20(28)24-21-17(22(29)30-4)14(3)19(31-21)13(2)11-23/h5-10,13H,1-4H3,(H,24,28)/t13-/m1/s1