ethyl 6,6-dimethyl-2-(phenylsulfonylcarbamoylamino)-5,7-dihydro-4H-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6,6-dimethyl-2-(phenylsulfonylcarbamoylamino)-5,7-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(benzenesulfonylcarbamoylamino)-6,6-dimethyl-5,7-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 2-[[benzenesulfonamido(oxo)methyl]amino]-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfonylcarbamoylamino)-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 2-(besylcarbamoylamino)-6,6-dimethyl-5,7-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)(C)C)NC(=O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)(C)C)NC(=O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O5S2/c1-4-27-18(23)16-14-10-11-20(2,3)12-15(14)28-17(16)21-19(24)22-29(25,26)13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3,(H2,21,22,24)