(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H18N4O3S MolecularWeight: 394.44692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N4O3S/c25-19(12-6-5-11-18-21-16-9-3-4-10-17(16)28-18)27-13-24-20(26)14-7-1-2-8-15(14)22-23-24/h1-4,7-10H,5-6,11-13H2