1,3-benzothiazol-2-ylmethyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N3O3S/c1-2-3-8-13-25-21(26)16-10-5-4-9-15(16)20(24-25)22(27)28-14-19-23-17-11-6-7-12-18(17)29-19/h4-7,9-12H,2-3,8,13-14H2,1H3