methyl 2-[5-chloranyl-6-oxidanylidene-4-(2-thiophen-3-ylethylamino)pyridazin-1-yl]benzoate

Systemtic Name: methyl 2-[5-chloranyl-6-oxidanylidene-4-(2-thiophen-3-ylethylamino)pyridazin-1-yl]benzoate Openeye Name: methyl 2-[5-chloro-6-oxo-4-[2-(3-thienyl)ethylamino]pyridazin-1-yl]benzoate CAS Name: 2-[5-chloro-6-oxo-4-[2-(3-thiophenyl)ethylamino]-1-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-chloro-6-oxo-4-(2-thiophen-3-ylethylamino)pyridazin-1-yl]benzoate Traditional Name: 2-[5-chloro-6-keto-4-[2-(3-thienyl)ethylamino]pyridazin-1-yl]benzoic acid methyl ester Formula: C18H16ClN3O3S MolecularWeight: 389.85594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C=N2)NCCC3=CSC=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C=N2)NCCC3=CSC=C3)Cl

InChI

InChI=1S/C18H16ClN3O3S/c1-25-18(24)13-4-2-3-5-15(13)22-17(23)16(19)14(10-21-22)20-8-6-12-7-9-26-11-12/h2-5,7,9-11,20H,6,8H2,1H3