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

Systemtic Name: 4,4-dimethyl-2,3-dihydrothiochromene-5-carboxylate Openeye Name: 4,4-dimethylthiochromane-5-carboxylate CAS Name: 4,4-dimethyl-2,3-dihydro-1-benzothiopyran-5-carboxylate IUPAC Name: 4,4-dimethyl-2,3-dihydrothiochromene-5-carboxylate Traditional Name: 4,4-dimethylthiochroman-5-carboxylate Formula: C12H13O2S- MolecularWeight: 221.29542

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=CC=CC(=C21)C(=O)[O-])C

Isomeric SMILES

CC1(CCSC2=CC=CC(=C21)C(=O)[O-])C

InChI

InChI=1S/C12H14O2S/c1-12(2)6-7-15-9-5-3-4-8(10(9)12)11(13)14/h3-5H,6-7H2,1-2H3,(H,13,14)/p-1