(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2,5-dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(2-thenyl)pyrrole-3-carboxylic 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:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H18N4O3S/c1-13-10-17(14(2)23(13)11-15-6-5-9-28-15)20(26)27-12-24-19(25)16-7-3-4-8-18(16)21-22-24/h3-10H,11-12H2,1-2H3