S-[2-(3-methylfuran-2-yl)ethyl] 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate

Systemtic Name: S-[2-(3-methylfuran-2-yl)ethyl] 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate Openeye Name: S-[2-(3-methyl-2-furyl)ethyl] 3,5-ditert-butyl-4-hydroxy-benzenecarbothioate CAS Name: 3,5-ditert-butyl-4-hydroxybenzenecarbothioic acid S-[2-(3-methyl-2-furanyl)ethyl] ester IUPAC Name: S-[2-(3-methylfuran-2-yl)ethyl] 3,5-ditert-butyl-4-hydroxybenzenecarbothioate Traditional Name: 3,5-ditert-butyl-4-hydroxy-thiobenzoic acid S-[2-(3-methyl-2-furyl)ethyl] ester Formula: C22H30O3S MolecularWeight: 374.5368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC=C1)CCSC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC1=C(OC=C1)CCSC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C22H30O3S/c1-14-8-10-25-18(14)9-11-26-20(24)15-12-16(21(2,3)4)19(23)17(13-15)22(5,6)7/h8,10,12-13,23H,9,11H2,1-7H3