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

Systemtic Name: methyl 4-[[2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[1-oxo-4-(2-thienyl)phthalazin-2-yl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(1-oxo-4-thiophen-2-yl-2-phthalazinyl)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[1-keto-4-(2-thienyl)phthalazin-2-yl]acetyl]amino]methyl]benzoic acid methyl ester Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O4S/c1-30-23(29)16-10-8-15(9-11-16)13-24-20(27)14-26-22(28)18-6-3-2-5-17(18)21(25-26)19-7-4-12-31-19/h2-12H,13-14H2,1H3,(H,24,27)