(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 1,2,3-benzothiadiazole-7-carboxylate

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 1,2,3-benzothiadiazole-7-carboxylate Openeye Name: (5,5-dimethyl-3-oxo-cyclohexen-1-yl) 1,2,3-benzothiadiazole-7-carboxylate CAS Name: 1,2,3-benzothiadiazole-7-carboxylic acid (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (5,5-dimethyl-3-oxocyclohexen-1-yl) 1,2,3-benzothiadiazole-7-carboxylate Traditional Name: 1,2,3-benzothiadiazole-7-carboxylic acid (3-keto-5,5-dimethyl-cyclohexen-1-yl) ester Formula: C15H14N2O3S MolecularWeight: 302.34826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)OC(=O)C2=C3C(=CC=C2)N=NS3)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)OC(=O)C2=C3C(=CC=C2)N=NS3)C

InChI

InChI=1S/C15H14N2O3S/c1-15(2)7-9(18)6-10(8-15)20-14(19)11-4-3-5-12-13(11)21-17-16-12/h3-6H,7-8H2,1-2H3