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

Systemtic Name: methyl 1-(2-diethylaminoethyl)-7-methyl-3,4-dihydroisothiochromene-1-carboxylate Openeye Name: methyl 1-(2-diethylaminoethyl)-7-methyl-isothiochromane-1-carboxylate CAS Name: 1-(2-diethylaminoethyl)-7-methyl-3,4-dihydro-2-benzothiopyran-1-carboxylic acid methyl ester IUPAC Name: methyl 1-(2-diethylaminoethyl)-7-methyl-3,4-dihydroisothiochromene-1-carboxylate Traditional Name: 1-(2-diethylaminoethyl)-7-methyl-isothiochroman-1-carboxylic acid methyl ester Formula: C18H27NO2S MolecularWeight: 321.47748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO2S/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