(2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-(3,4-dimethylphenyl)sulfonylpropanoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-(3,4-dimethylphenyl)sulfonylpropanoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate CAS Name: 3-(3,4-dimethylphenyl)sulfonylpropanoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 3-(3,4-dimethylphenyl)sulfonylpropanoate Traditional Name: 3-(3,4-dimethylphenyl)sulfonylpropionic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C17H18O5S2 MolecularWeight: 366.45182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)C2=CC=CS2)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)C2=CC=CS2)C

InChI

InChI=1S/C17H18O5S2/c1-12-5-6-14(10-13(12)2)24(20,21)9-7-17(19)22-11-15(18)16-4-3-8-23-16/h3-6,8,10H,7,9,11H2,1-2H3