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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H23N3O3S/c1-2-3-4-9-14-26-22(27)17-11-6-5-10-16(17)21(25-26)23(28)29-15-20-24-18-12-7-8-13-19(18)30-20/h5-8,10-13H,2-4,9,14-15H2,1H3