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

Systemtic Name: methyl 3-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C17H15N3O4S/c1-20-16(22)11-6-4-3-5-10(11)13(19-20)9-14(21)18-12-7-8-25-15(12)17(23)24-2/h3-8H,9H2,1-2H3,(H,18,21)