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

Systemtic Name: methyl 1-(2-diethylaminoethyl)-7-methyl-3,4-dihydroisothiochromene-1-carboxylate hydrochloride Openeye Name: methyl 1-(2-diethylaminoethyl)-7-methyl-isothiochromane-1-carboxylate hydrochloride CAS Name: 1-(2-diethylaminoethyl)-7-methyl-3,4-dihydro-2-benzothiopyran-1-carboxylic acid methyl ester hydrochloride IUPAC Name: methyl 1-(2-diethylaminoethyl)-7-methyl-3,4-dihydroisothiochromene-1-carboxylate hydrochloride Traditional Name: 1-(2-diethylaminoethyl)-7-methyl-isothiochroman-1-carboxylic acid methyl ester hydrochloride Formula: C18H28ClNO2S MolecularWeight: 357.93842

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1(C2=C(CCS1)C=CC(=C2)C)C(=O)OC.Cl

Isomeric SMILES

CCN(CC)CCC1(C2=C(CCS1)C=CC(=C2)C)C(=O)OC.Cl

InChI

InChI=1S/C18H27NO2S.ClH/c1-5-19(6-2)11-10-18(17(20)21-4)16-13-14(3)7-8-15(16)9-12-22-18;/h7-8,13H,5-6,9-12H2,1-4H3;1H