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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)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-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H16N4O3S/c24-18(11-5-10-17-20-15-8-3-4-9-16(15)27-17)26-12-23-19(25)13-6-1-2-7-14(13)21-22-23/h1-4,6-9H,5,10-12H2