[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate

Systemtic Name: [2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Openeye Name: [2-(2-methylsulfonylanilino)-2-oxo-ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate CAS Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid [2-(2-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfonylanilino)-2-oxoethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Traditional Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid [2-keto-2-(2-mesylanilino)ethyl] ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(S2)CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(S2)CCCCC3

InChI

InChI=1S/C19H21NO5S2/c1-27(23,24)17-10-6-5-8-14(17)20-18(21)12-25-19(22)16-11-13-7-3-2-4-9-15(13)26-16/h5-6,8,10-11H,2-4,7,9,12H2,1H3,(H,20,21)