tert-butyl 2-methyl-4-oxidanyl-1-oxidanylidene-4-phenyl-2,3-dihydrothiochromene-3-carboxylate

Systemtic Name: tert-butyl 2-methyl-4-oxidanyl-1-oxidanylidene-4-phenyl-2,3-dihydrothiochromene-3-carboxylate Openeye Name: tert-butyl 4-hydroxy-2-methyl-1-oxo-4-phenyl-2,3-dihydrothiochromene-3-carboxylate CAS Name: 4-hydroxy-2-methyl-1-oxo-4-phenyl-2,3-dihydro-1-benzothiopyran-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-hydroxy-2-methyl-1-oxo-4-phenyl-2,3-dihydrothiochromene-3-carboxylate Traditional Name: 4-hydroxy-1-keto-2-methyl-4-phenyl-2,3-dihydrothiochromene-3-carboxylic acid tert-butyl ester Formula: C21H24O4S MolecularWeight: 372.47786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C2=CC=CC=C2S1=O)(C3=CC=CC=C3)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1C(C(C2=CC=CC=C2S1=O)(C3=CC=CC=C3)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H24O4S/c1-14-18(19(22)25-20(2,3)4)21(23,15-10-6-5-7-11-15)16-12-8-9-13-17(16)26(14)24/h5-14,18,23H,1-4H3