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

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(phenylsulfonyl)propanoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C15H13ClO5S2 MolecularWeight: 372.84372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClO5S2/c16-14-7-6-13(22-14)12(17)10-21-15(18)8-9-23(19,20)11-4-2-1-3-5-11/h1-7H,8-10H2