2-[5-(1-oxidanyl-1-thiophen-2-yl-ethyl)thiophen-2-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[5-(1-oxidanyl-1-thiophen-2-yl-ethyl)thiophen-2-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[5-[1-hydroxy-1-(2-thienyl)ethyl]-2-thienyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[5-(1-hydroxy-1-thiophen-2-ylethyl)-2-thiophenyl]ethyl ester IUPAC Name: 2-[5-(1-hydroxy-1-thiophen-2-ylethyl)thiophen-2-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[5-[1-hydroxy-1-(2-thienyl)ethyl]-2-thienyl]ethyl ester Formula: C19H20O4S3 MolecularWeight: 408.5547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=C(S2)C(C)(C3=CC=CS3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=C(S2)C(C)(C3=CC=CS3)O

InChI

InChI=1S/C19H20O4S3/c1-14-5-8-16(9-6-14)26(21,22)23-12-11-15-7-10-18(25-15)19(2,20)17-4-3-13-24-17/h3-10,13,20H,11-12H2,1-2H3