1,3-benzothiazol-2-ylmethyl 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate CAS Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate Traditional Name: 3-(4-keto-1,2,3-benzotriazin-3-yl)propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H14N4O3S MolecularWeight: 366.39376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H14N4O3S/c23-17(25-11-16-19-14-7-3-4-8-15(14)26-16)9-10-22-18(24)12-5-1-2-6-13(12)20-21-22/h1-8H,9-11H2