[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 3-(phenylsulfonyl)propanoate

Systemtic Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 3-(phenylsulfonyl)propanoate Openeye Name: [2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl] 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid [2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid [2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl] ester Formula: C17H18O5S2 MolecularWeight: 366.45182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)COC(=O)CCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)COC(=O)CCS(=O)(=O)C2=CC=CC=C2

InChI

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