ethyl 2-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-butyl-4-oxophthalazine-1-carbonyl)amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(S3)CC)C(=O)OCC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(S3)CC)C(=O)OCC

InChI

InChI=1S/C22H25N3O4S/c1-4-7-12-25-21(27)16-11-9-8-10-15(16)18(24-25)19(26)23-20-17(22(28)29-6-3)13-14(5-2)30-20/h8-11,13H,4-7,12H2,1-3H3,(H,23,26)