S-(4-methylphenyl) 3,6,7-trimethyl-1-benzofuran-2-carbothioate

Systemtic Name: S-(4-methylphenyl) 3,6,7-trimethyl-1-benzofuran-2-carbothioate Openeye Name: S-(p-tolyl) 3,6,7-trimethylbenzofuran-2-carbothioate CAS Name: 3,6,7-trimethyl-2-benzofurancarbothioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 3,6,7-trimethyl-1-benzofuran-2-carbothioate Traditional Name: 3,6,7-trimethylbenzofuran-2-carbothioic acid S-(p-tolyl) ester Formula: C19H18O2S MolecularWeight: 310.41002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C2=C(C3=C(O2)C(=C(C=C3)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)C2=C(C3=C(O2)C(=C(C=C3)C)C)C

InChI

InChI=1S/C19H18O2S/c1-11-5-8-15(9-6-11)22-19(20)18-14(4)16-10-7-12(2)13(3)17(16)21-18/h5-10H,1-4H3