[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NCCC2=CC=CS2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NCCC2=CC=CS2

InChI

InChI=1S/C18H21NO5S2/c1-14-4-6-16(7-5-14)26(22,23)12-9-18(21)24-13-17(20)19-10-8-15-3-2-11-25-15/h2-7,11H,8-10,12-13H2,1H3,(H,19,20)