(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [2-(2-thienyl)thiazol-4-yl]methyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid (2-thiophen-2-yl-4-thiazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [2-(2-thienyl)thiazol-4-yl]methyl ester Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CSC(=N3)C4=CC=CS4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CSC(=N3)C4=CC=CS4

InChI

InChI=1S/C22H21N3O3S2/c1-2-3-6-11-25-21(26)17-9-5-4-8-16(17)19(24-25)22(27)28-13-15-14-30-20(23-15)18-10-7-12-29-18/h4-5,7-10,12,14H,2-3,6,11,13H2,1H3