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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-1-one Openeye Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-1-one CAS Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-propanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-1-one Traditional Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(homoveratrylamino)propan-1-one Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCCC(=O)N2CCCSC3=CC=CC=C32)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCCC(=O)N2CCCSC3=CC=CC=C32)OC

InChI

InChI=1S/C22H28N2O3S/c1-26-19-9-8-17(16-20(19)27-2)10-12-23-13-11-22(25)24-14-5-15-28-21-7-4-3-6-18(21)24/h3-4,6-9,16,23H,5,10-15H2,1-2H3