ethyl 2-[(4-bromophenyl)sulfonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-bromophenyl)sulfonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-bromophenyl)sulfonylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(4-bromophenyl)sulfonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromophenyl)sulfonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(brosylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H20BrNO4S2 MolecularWeight: 458.3897

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO4S2/c1-3-24-18(21)16-14-9-4-11(2)10-15(14)25-17(16)20-26(22,23)13-7-5-12(19)6-8-13/h5-8,11,20H,3-4,9-10H2,1-2H3