2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C18H16N4O5S MolecularWeight: 400.40844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4S3(=O)=O)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4S3(=O)=O)N=N1

InChI

InChI=1S/C18H16N4O5S/c1-2-21-15-8-7-12(11-14(15)19-20-21)18(24)27-10-9-22-17(23)13-5-3-4-6-16(13)28(22,25)26/h3-8,11H,2,9-10H2,1H3