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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Openeye Name: 3-(3,4-dimethoxyphenyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one CAS Name: 3-(3,4-dimethoxyphenyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-propanone IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Traditional Name: 3-(3,4-dimethoxyphenyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H25NO3S/c1-15-12-13-22(17-6-4-5-7-20(17)26-15)21(23)11-9-16-8-10-18(24-2)19(14-16)25-3/h4-8,10,14-15H,9,11-13H2,1-3H3