(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H16N4O3S2 MolecularWeight: 412.48534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H16N4O3S2/c24-17(10-5-11-27-19-20-15-8-3-4-9-16(15)28-19)26-12-23-18(25)13-6-1-2-7-14(13)21-22-23/h1-4,6-9H,5,10-12H2