methyl 1-(2-dimethylaminoethyl)-7-methyl-3,4-dihydroisothiochromene-1-carboxylate

Systemtic Name: methyl 1-(2-dimethylaminoethyl)-7-methyl-3,4-dihydroisothiochromene-1-carboxylate Openeye Name: methyl 1-(2-dimethylaminoethyl)-7-methyl-isothiochromane-1-carboxylate CAS Name: 1-(2-dimethylaminoethyl)-7-methyl-3,4-dihydro-2-benzothiopyran-1-carboxylic acid methyl ester IUPAC Name: methyl 1-(2-dimethylaminoethyl)-7-methyl-3,4-dihydroisothiochromene-1-carboxylate Traditional Name: 1-(2-dimethylaminoethyl)-7-methyl-isothiochroman-1-carboxylic acid methyl ester Formula: C16H23NO2S MolecularWeight: 293.42432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CCSC2(CCN(C)C)C(=O)OC)C=C1

Isomeric SMILES

CC1=CC2=C(CCSC2(CCN(C)C)C(=O)OC)C=C1

InChI

InChI=1S/C16H23NO2S/c1-12-5-6-13-7-10-20-16(14(13)11-12,15(18)19-4)8-9-17(2)3/h5-6,11H,7-10H2,1-4H3