2-[5-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl]-N-[(2-ethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[5-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl]-N-[(2-ethoxyphenyl)methyl]ethanamide Openeye Name: 2-[5-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl]-N-[(2-ethoxyphenyl)methyl]acetamide CAS Name: 2-[5-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl]-N-[(2-ethoxyphenyl)methyl]acetamide IUPAC Name: 2-[5-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl]-N-[(2-ethoxyphenyl)methyl]acetamide Traditional Name: 2-(7,8-dimethoxy-5-veratryl-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-N-(2-ethoxybenzyl)acetamide Formula: C31H38N2O6S MolecularWeight: 566.70822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)CN2CCSC3=CC(=C(C=C3C2CC4=CC(=C(C=C4)OC)OC)OC)OC

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)CN2CCSC3=CC(=C(C=C3C2CC4=CC(=C(C=C4)OC)OC)OC)OC

InChI

InChI=1S/C31H38N2O6S/c1-6-39-25-10-8-7-9-22(25)19-32-31(34)20-33-13-14-40-30-18-29(38-5)28(37-4)17-23(30)24(33)15-21-11-12-26(35-2)27(16-21)36-3/h7-12,16-18,24H,6,13-15,19-20H2,1-5H3,(H,32,34)