[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C16H15BrO5S2 MolecularWeight: 431.3213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)C2=CC=C(S2)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C16H15BrO5S2/c1-11-2-4-12(5-3-11)24(20,21)9-8-16(19)22-10-13(18)14-6-7-15(17)23-14/h2-7H,8-10H2,1H3