N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-homoveratryl-2-(4-keto-2-methyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(C2=CC=CC=C2S1)CC(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1CC(=O)N(C2=CC=CC=C2S1)CC(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H26N2O4S/c1-15-12-22(26)24(17-6-4-5-7-20(17)29-15)14-21(25)23-11-10-16-8-9-18(27-2)19(13-16)28-3/h4-9,13,15H,10-12,14H2,1-3H3,(H,23,25)