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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC(=O)N2CCCSC3=CC=CC=C32)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC(=O)N2CCCSC3=CC=CC=C32)OC

InChI

InChI=1S/C20H23NO3S/c1-23-16-12-15(13-17(14-16)24-2)8-9-20(22)21-10-5-11-25-19-7-4-3-6-18(19)21/h3-4,6-7,12-14H,5,8-11H2,1-2H3