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

Systemtic Name: methyl 7-methyl-1-(2-piperidin-1-ylethyl)-3,4-dihydroisothiochromene-1-carboxylate Openeye Name: methyl 7-methyl-1-[2-(1-piperidyl)ethyl]isothiochromane-1-carboxylate CAS Name: 7-methyl-1-[2-(1-piperidinyl)ethyl]-3,4-dihydro-2-benzothiopyran-1-carboxylic acid methyl ester IUPAC Name: methyl 7-methyl-1-(2-piperidin-1-ylethyl)-3,4-dihydroisothiochromene-1-carboxylate Traditional Name: 7-methyl-1-(2-piperidinoethyl)isothiochroman-1-carboxylic acid methyl ester Formula: C19H27NO2S MolecularWeight: 333.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CCSC2(CCN3CCCCC3)C(=O)OC)C=C1

Isomeric SMILES

CC1=CC2=C(CCSC2(CCN3CCCCC3)C(=O)OC)C=C1

InChI

InChI=1S/C19H27NO2S/c1-15-6-7-16-8-13-23-19(17(16)14-15,18(21)22-2)9-12-20-10-4-3-5-11-20/h6-7,14H,3-5,8-13H2,1-2H3