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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(1,3-benzothiazol-2-ylmethoxy)acetate CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(1,3-benzothiazol-2-ylmethoxy)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H14N4O4S MolecularWeight: 382.39316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)COCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)COCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H14N4O4S/c23-17(10-25-9-16-19-14-7-3-4-8-15(14)27-16)26-11-22-18(24)12-5-1-2-6-13(12)20-21-22/h1-8H,9-11H2