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

Systemtic Name: methyl 3-[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]thiophene-2-carboxylate CAS Name: 3-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C20H21N3O4S/c1-3-4-7-11-23-19(25)14-9-6-5-8-13(14)16(22-23)18(24)21-15-10-12-28-17(15)20(26)27-2/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,21,24)