[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]propanoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-phenetylsulfonylamino)propionic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C17H18BrNO6S2 MolecularWeight: 476.36192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=C(S2)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C17H18BrNO6S2/c1-2-24-12-3-5-13(6-4-12)27(22,23)19-10-9-17(21)25-11-14(20)15-7-8-16(18)26-15/h3-8,19H,2,9-11H2,1H3