propan-2-yl 2-[2-(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[2-(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-(5-cyano-3,4-dimethyl-6-oxo-pyridazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(5-cyano-3,4-dimethyl-6-oxo-1-pyridazinyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(5-cyano-6-keto-3,4-dimethyl-pyridazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C21H24N4O4S MolecularWeight: 428.50466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)C#N

InChI

InChI=1S/C21H24N4O4S/c1-11(2)29-21(28)18-14-7-5-6-8-16(14)30-19(18)23-17(26)10-25-20(27)15(9-22)12(3)13(4)24-25/h11H,5-8,10H2,1-4H3,(H,23,26)