ethyl 2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]-5-piperidin-4-yl-pentanoate dihydrobromide

Systemtic Name: ethyl 2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]-5-piperidin-4-yl-pentanoate dihydrobromide Openeye Name: ethyl 2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-5-(4-piperidyl)pentanoate dihydrobromide CAS Name: 2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]-5-(4-piperidinyl)pentanoic acid ethyl ester dihydrobromide IUPAC Name: ethyl 2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-5-piperidin-4-ylpentanoate dihydrobromide Traditional Name: 2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-5-(4-piperidyl)valeric acid ethyl ester dihydrobromide Formula: C23H35Br2N3O5S MolecularWeight: 625.4141

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC1CCNCC1)NOC(=O)CN2C(=O)CCSC3=CC=CC=C32.Br.Br

Isomeric SMILES

CCOC(=O)C(CCCC1CCNCC1)NOC(=O)CN2C(=O)CCSC3=CC=CC=C32.Br.Br

InChI

InChI=1S/C23H33N3O5S.2BrH/c1-2-30-23(29)18(7-5-6-17-10-13-24-14-11-17)25-31-22(28)16-26-19-8-3-4-9-20(19)32-15-12-21(26)27;;/h3-4,8-9,17-18,24-25H,2,5-7,10-16H2,1H3;2*1H