2-[(2,3-dimethoxyphenyl)methyl-methyl-amino]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone

Systemtic Name: 2-[(2,3-dimethoxyphenyl)methyl-methyl-amino]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Openeye Name: 2-[(2,3-dimethoxyphenyl)methyl-methyl-amino]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[methyl(o-veratryl)amino]ethanone Formula: C22H28N2O3S MolecularWeight: 400.53432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CN(C)CC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CN(C)CC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C22H28N2O3S/c1-16-12-13-24(18-9-5-6-11-20(18)28-16)21(25)15-23(2)14-17-8-7-10-19(26-3)22(17)27-4/h5-11,16H,12-15H2,1-4H3