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

Systemtic Name: methyl 7-methyl-1-(2-morpholin-4-ylethyl)-3,4-dihydroisothiochromene-1-carboxylate Openeye Name: methyl 7-methyl-1-(2-morpholinoethyl)isothiochromane-1-carboxylate CAS Name: 7-methyl-1-[2-(4-morpholinyl)ethyl]-3,4-dihydro-2-benzothiopyran-1-carboxylic acid methyl ester IUPAC Name: methyl 7-methyl-1-(2-morpholin-4-ylethyl)-3,4-dihydroisothiochromene-1-carboxylate Traditional Name: 7-methyl-1-(2-morpholinoethyl)isothiochroman-1-carboxylic acid methyl ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CCSC2(CCN3CCOCC3)C(=O)OC)C=C1

Isomeric SMILES

CC1=CC2=C(CCSC2(CCN3CCOCC3)C(=O)OC)C=C1

InChI

InChI=1S/C18H25NO3S/c1-14-3-4-15-5-12-23-18(16(15)13-14,17(20)21-2)6-7-19-8-10-22-11-9-19/h3-4,13H,5-12H2,1-2H3