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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Openeye Name: 2-(3,4-dimethoxyphenyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-(3,4-dimethoxyphenyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 2-(3,4-dimethoxyphenyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3S/c1-14-10-11-21(16-6-4-5-7-19(16)25-14)20(22)13-15-8-9-17(23-2)18(12-15)24-3/h4-9,12,14H,10-11,13H2,1-3H3