[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NCC3=CC=CS3

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C23H27N3O4S/c1-3-4-5-8-13-26-22(28)19-12-7-6-11-18(19)20(25-26)23(29)30-16(2)21(27)24-15-17-10-9-14-31-17/h6-7,9-12,14,16H,3-5,8,13,15H2,1-2H3,(H,24,27)