methyl 4-[2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-oxo-4-(2-thienyl)phthalazin-2-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(1-oxo-4-thiophen-2-yl-2-phthalazinyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[1-keto-4-(2-thienyl)phthalazin-2-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

InChI=1S/C22H17N3O4S/c1-29-22(28)14-8-10-15(11-9-14)23-19(26)13-25-21(27)17-6-3-2-5-16(17)20(24-25)18-7-4-12-30-18/h2-12H,13H2,1H3,(H,23,26)