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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-propanone IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Traditional Name: 3-(homoveratrylamino)-1-(4-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCSC2=CC=CC=C2N1C(=O)CCNCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1CCSC2=CC=CC=C2N1C(=O)CCNCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H30N2O3S/c1-17-12-15-29-22-7-5-4-6-19(22)25(17)23(26)11-14-24-13-10-18-8-9-20(27-2)21(16-18)28-3/h4-9,16-17,24H,10-15H2,1-3H3