[4-(dimethylamino)-6,7-dihydro-5H-1-benzothiophen-4-yl]methyl 3,4,5-trimethoxybenzoate

Systemtic Name: [4-(dimethylamino)-6,7-dihydro-5H-1-benzothiophen-4-yl]methyl 3,4,5-trimethoxybenzoate Openeye Name: [4-(dimethylamino)-6,7-dihydro-5H-benzothiophen-4-yl]methyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-(dimethylamino)-6,7-dihydro-5H-1-benzothiophen-4-yl]methyl ester IUPAC Name: [4-(dimethylamino)-6,7-dihydro-5H-1-benzothiophen-4-yl]methyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [4-(dimethylamino)-6,7-dihydro-5H-benzothiophen-4-yl]methyl ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCCC2=C1C=CS2)COC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CN(C)C1(CCCC2=C1C=CS2)COC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H27NO5S/c1-22(2)21(9-6-7-18-15(21)8-10-28-18)13-27-20(23)14-11-16(24-3)19(26-5)17(12-14)25-4/h8,10-12H,6-7,9,13H2,1-5H3