5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propanoyl]-3,4-dihydro-2H-1,5-benzothiazepine-8-carbonitrile

Systemtic Name: 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propanoyl]-3,4-dihydro-2H-1,5-benzothiazepine-8-carbonitrile Openeye Name: 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propanoyl]-3,4-dihydro-2H-1,5-benzothiazepine-8-carbonitrile CAS Name: 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropyl]-3,4-dihydro-2H-1,5-benzothiazepine-8-carbonitrile IUPAC Name: 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propanoyl]-3,4-dihydro-2H-1,5-benzothiazepine-8-carbonitrile Traditional Name: 5-[3-(homoveratrylamino)propanoyl]-3,4-dihydro-2H-1,5-benzothiazepine-8-carbonitrile Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCCC(=O)N2CCCSC3=C2C=CC(=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCCC(=O)N2CCCSC3=C2C=CC(=C3)C#N)OC

InChI

InChI=1S/C23H27N3O3S/c1-28-20-7-5-17(14-21(20)29-2)8-10-25-11-9-23(27)26-12-3-13-30-22-15-18(16-24)4-6-19(22)26/h4-7,14-15,25H,3,8-13H2,1-2H3