[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C18H19NO5S2 MolecularWeight: 393.47716

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=CSC3=C2CCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=CSC3=C2CCCC3

InChI

InChI=1S/C18H19NO5S2/c1-26(22,23)13-6-4-5-12(9-13)19-17(20)10-24-18(21)15-11-25-16-8-3-2-7-14(15)16/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,19,20)