methyl 3-[2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[1-oxo-4-(3-pyridylmethyl)phthalazin-2-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-[1-oxo-4-(3-pyridinylmethyl)-2-phthalazinyl]ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[1-keto-4-(3-pyridylmethyl)phthalazin-2-yl]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CN=CC=C4

InChI

InChI=1S/C22H18N4O4S/c1-30-22(29)20-17(8-10-31-20)24-19(27)13-26-21(28)16-7-3-2-6-15(16)18(25-26)11-14-5-4-9-23-12-14/h2-10,12H,11,13H2,1H3,(H,24,27)