[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2)C)C

InChI

InChI=1S/C18H21NO5S2/c1-12-9-14(3)15(10-13(12)2)16(20)11-24-17(21)6-7-19-26(22,23)18-5-4-8-25-18/h4-5,8-10,19H,6-7,11H2,1-3H3