[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-oxo-ethyl] 1-butyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-butyl-6-oxo-3-pyridazinecarboxylic acid [2-[2,5-dimethyl-1-(2-thiazolyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-butyl-6-keto-pyridazine-3-carboxylic acid [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=CC(=N1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=NC=CS3)C

Isomeric SMILES

CCCCN1C(=O)C=CC(=N1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=NC=CS3)C

InChI

InChI=1S/C20H22N4O4S/c1-4-5-9-23-18(26)7-6-16(22-23)19(27)28-12-17(25)15-11-13(2)24(14(15)3)20-21-8-10-29-20/h6-8,10-11H,4-5,9,12H2,1-3H3