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

Systemtic Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one Openeye Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one CAS Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(3,4,5-trimethoxyphenyl)-1-propanone IUPAC Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one Traditional Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S/c1-15-11-12-23(17-7-5-6-8-20(17)28-15)21(24)10-9-16-13-18(25-2)22(27-4)19(14-16)26-3/h5-8,13-15H,9-12H2,1-4H3