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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanone Openeye Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanone CAS Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanone Traditional Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(homoveratrylamino)ethanone Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-25-18-9-8-16(14-19(18)26-2)10-11-22-15-21(24)23-12-5-13-27-20-7-4-3-6-17(20)23/h3-4,6-9,14,22H,5,10-13,15H2,1-2H3