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

Systemtic Name: 3-(2,3-dimethoxyphenyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Openeye Name: 3-(2,3-dimethoxyphenyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one CAS Name: 3-(2,3-dimethoxyphenyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-propanone IUPAC Name: 3-(2,3-dimethoxyphenyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Traditional Name: 3-(2,3-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=C(C(=CC=C3)OC)OC

Isomeric SMILES

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

InChI

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