3-[2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-2-thienyl]amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-[[4-(2-chlorophenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-[[3-carbethoxy-4-(2-chlorophenyl)-2-thienyl]amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C24H17ClN3O6S- MolecularWeight: 510.92628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

InChI

InChI=1S/C24H18ClN3O6S/c1-2-34-24(33)19-16(13-7-5-6-10-17(13)25)12-35-21(19)26-18(29)11-28-22(30)15-9-4-3-8-14(15)20(27-28)23(31)32/h3-10,12H,2,11H2,1H3,(H,26,29)(H,31,32)/p-1