[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propionic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C17H17BrN2O6S2 MolecularWeight: 489.36068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC=C(S1)Br)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C1=CC=C(S1)Br)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C17H17BrN2O6S2/c1-10(17(23)26-9-14(22)15-7-8-16(18)27-15)20-28(24,25)13-5-3-12(4-6-13)19-11(2)21/h3-8,10,20H,9H2,1-2H3,(H,19,21)/t10-/m0/s1