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

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C22H15ClN2O4S MolecularWeight: 438.8835

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C22H15ClN2O4S/c23-19-11-10-18(30-19)17(26)13-29-22(28)20-15-8-4-5-9-16(15)21(27)25(24-20)12-14-6-2-1-3-7-14/h1-11H,12-13H2