S-(1H-pyrrol-2-ylmethyl) 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate

Systemtic Name: S-(1H-pyrrol-2-ylmethyl) 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate Openeye Name: S-(1H-pyrrol-2-ylmethyl) 3,5-ditert-butyl-4-hydroxy-benzenecarbothioate CAS Name: 3,5-ditert-butyl-4-hydroxybenzenecarbothioic acid S-(1H-pyrrol-2-ylmethyl) ester IUPAC Name: S-(1H-pyrrol-2-ylmethyl) 3,5-ditert-butyl-4-hydroxybenzenecarbothioate Traditional Name: 3,5-ditert-butyl-4-hydroxy-thiobenzoic acid S-(1H-pyrrol-2-ylmethyl) ester Formula: C20H27NO2S MolecularWeight: 345.49888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)SCC2=CC=CN2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)SCC2=CC=CN2

InChI

InChI=1S/C20H27NO2S/c1-19(2,3)15-10-13(11-16(17(15)22)20(4,5)6)18(23)24-12-14-8-7-9-21-14/h7-11,21-22H,12H2,1-6H3