ethyl 7-methyl-3,4-dihydro-1H-isothiochromene-1-carboxylate

Systemtic Name: ethyl 7-methyl-3,4-dihydro-1H-isothiochromene-1-carboxylate Openeye Name: ethyl 7-methylisothiochromane-1-carboxylate CAS Name: 7-methyl-3,4-dihydro-1H-2-benzothiopyran-1-carboxylic acid ethyl ester IUPAC Name: ethyl 7-methyl-3,4-dihydro-1H-isothiochromene-1-carboxylate Traditional Name: 7-methylisothiochroman-1-carboxylic acid ethyl ester Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2=C(CCS1)C=CC(=C2)C

Isomeric SMILES

CCOC(=O)C1C2=C(CCS1)C=CC(=C2)C

InChI

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