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

Systemtic Name: ethyl 2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[(4-bromophenyl)sulfonylamino]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(brosylamino)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H23BrN2O5S2 MolecularWeight: 515.44102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN2O5S2/c1-2-28-20(25)18-15-5-3-4-6-16(15)29-19(18)23-17(24)11-12-22-30(26,27)14-9-7-13(21)8-10-14/h7-10,22H,2-6,11-12H2,1H3,(H,23,24)