methyl 2-[5-chloranyl-4-[[2-(dimethylamino)-2-thiophen-2-yl-ethyl]amino]-6-oxidanylidene-pyridazin-1-yl]benzoate

Systemtic Name: methyl 2-[5-chloranyl-4-[[2-(dimethylamino)-2-thiophen-2-yl-ethyl]amino]-6-oxidanylidene-pyridazin-1-yl]benzoate Openeye Name: methyl 2-[5-chloro-4-[[2-(dimethylamino)-2-(2-thienyl)ethyl]amino]-6-oxo-pyridazin-1-yl]benzoate CAS Name: 2-[5-chloro-4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-6-oxo-1-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-chloro-4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-6-oxopyridazin-1-yl]benzoate Traditional Name: 2-[5-chloro-4-[[2-(dimethylamino)-2-(2-thienyl)ethyl]amino]-6-keto-pyridazin-1-yl]benzoic acid methyl ester Formula: C20H21ClN4O3S MolecularWeight: 432.92374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC1=C(C(=O)N(N=C1)C2=CC=CC=C2C(=O)OC)Cl)C3=CC=CS3

Isomeric SMILES

CN(C)C(CNC1=C(C(=O)N(N=C1)C2=CC=CC=C2C(=O)OC)Cl)C3=CC=CS3

InChI

InChI=1S/C20H21ClN4O3S/c1-24(2)16(17-9-6-10-29-17)12-22-14-11-23-25(19(26)18(14)21)15-8-5-4-7-13(15)20(27)28-3/h4-11,16,22H,12H2,1-3H3