methyl 4,4-dimethyl-2,3-dihydrothiochromene-5-carboxylate

Systemtic Name: methyl 4,4-dimethyl-2,3-dihydrothiochromene-5-carboxylate Openeye Name: methyl 4,4-dimethylthiochromane-5-carboxylate CAS Name: 4,4-dimethyl-2,3-dihydro-1-benzothiopyran-5-carboxylic acid methyl ester IUPAC Name: methyl 4,4-dimethyl-2,3-dihydrothiochromene-5-carboxylate Traditional Name: 4,4-dimethylthiochroman-5-carboxylic acid methyl ester Formula: C13H16O2S MolecularWeight: 236.32994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=CC=CC(=C21)C(=O)OC)C

Isomeric SMILES

CC1(CCSC2=CC=CC(=C21)C(=O)OC)C

InChI

InChI=1S/C13H16O2S/c1-13(2)7-8-16-10-6-4-5-9(11(10)13)12(14)15-3/h4-6H,7-8H2,1-3H3