3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl 2,7-dimethyl-3-oxidanyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl 2,7-dimethyl-3-oxidanyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl 3-hydroxy-2,7-dimethyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate CAS Name: 3-hydroxy-2,7-dimethyl-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylic acid 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl ester IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl 3-hydroxy-2,7-dimethyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate Traditional Name: 3-hydroxy-2,7-dimethyl-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylic acid 3-[homoveratryl(methyl)amino]propyl ester Formula: C26H35NO6S MolecularWeight: 489.6242

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(SC2=C(O1)C=CC(=C2)C)C(=O)OCCCN(C)CCC3=CC(=C(C=C3)OC)OC)O

Isomeric SMILES

CC1C(C(SC2=C(O1)C=CC(=C2)C)C(=O)OCCCN(C)CCC3=CC(=C(C=C3)OC)OC)O

InChI

InChI=1S/C26H35NO6S/c1-17-7-9-21-23(15-17)34-25(24(28)18(2)33-21)26(29)32-14-6-12-27(3)13-11-19-8-10-20(30-4)22(16-19)31-5/h7-10,15-16,18,24-25,28H,6,11-14H2,1-5H3