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

Systemtic Name: ethyl 5-ethyl-2-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[(4-oxo-3-propylphthalazine-1-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(S3)CC)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(S3)CC)C(=O)OCC

InChI

InChI=1S/C21H23N3O4S/c1-4-11-24-20(26)15-10-8-7-9-14(15)17(23-24)18(25)22-19-16(21(27)28-6-3)12-13(5-2)29-19/h7-10,12H,4-6,11H2,1-3H3,(H,22,25)