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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N3O3S/c1-2-3-12-24-20(25)15-9-5-4-8-14(15)19(23-24)21(26)27-13-18-22-16-10-6-7-11-17(16)28-18/h4-11H,2-3,12-13H2,1H3