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

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C15H9ClN2O4S MolecularWeight: 348.76096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C15H9ClN2O4S/c16-12-6-5-11(23-12)10(19)7-22-15(21)13-8-3-1-2-4-9(8)14(20)18-17-13/h1-6H,7H2,(H,18,20)