[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C20H19ClN2O4S/c1-2-3-6-11-23-19(25)14-8-5-4-7-13(14)18(22-23)20(26)27-12-15(24)16-9-10-17(21)28-16/h4-5,7-10H,2-3,6,11-12H2,1H3