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

Systemtic Name: methyl 3-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]thiophene-2-carboxylate CAS Name: 3-[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C17H15N3O4S/c1-3-20-16(22)11-7-5-4-6-10(11)13(19-20)15(21)18-12-8-9-25-14(12)17(23)24-2/h4-9H,3H2,1-2H3,(H,18,21)