propan-2-yl 3-(5-ethanoylthiophen-2-yl)-4-methyl-benzenesulfonate

Systemtic Name: propan-2-yl 3-(5-ethanoylthiophen-2-yl)-4-methyl-benzenesulfonate Openeye Name: isopropyl 3-(5-acetyl-2-thienyl)-4-methyl-benzenesulfonate CAS Name: 3-(5-acetyl-2-thiophenyl)-4-methylbenzenesulfonic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(5-acetylthiophen-2-yl)-4-methylbenzenesulfonate Traditional Name: 3-(5-acetyl-2-thienyl)-4-methyl-benzenesulfonic acid isopropyl ester Formula: C16H18O4S2 MolecularWeight: 338.44172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC(C)C)C2=CC=C(S2)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC(C)C)C2=CC=C(S2)C(=O)C

InChI

InChI=1S/C16H18O4S2/c1-10(2)20-22(18,19)13-6-5-11(3)14(9-13)16-8-7-15(21-16)12(4)17/h5-10H,1-4H3