[3-(5-methyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-phthalazin-1-yl] butanoate

Systemtic Name: [3-(5-methyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-phthalazin-1-yl] butanoate Openeye Name: [3-(5-methyl-1,3-benzothiazol-2-yl)-4-oxo-phthalazin-1-yl] butanoate CAS Name: butanoic acid [3-(5-methyl-1,3-benzothiazol-2-yl)-4-oxo-1-phthalazinyl] ester IUPAC Name: [3-(5-methyl-1,3-benzothiazol-2-yl)-4-oxophthalazin-1-yl] butanoate Traditional Name: butyric acid [4-keto-3-(5-methyl-1,3-benzothiazol-2-yl)phthalazin-1-yl] ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=NN(C(=O)C2=CC=CC=C21)C3=NC4=C(S3)C=CC(=C4)C

Isomeric SMILES

CCCC(=O)OC1=NN(C(=O)C2=CC=CC=C21)C3=NC4=C(S3)C=CC(=C4)C

InChI

InChI=1S/C20H17N3O3S/c1-3-6-17(24)26-18-13-7-4-5-8-14(13)19(25)23(22-18)20-21-15-11-12(2)9-10-16(15)27-20/h4-5,7-11H,3,6H2,1-2H3