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

Systemtic Name: ethyl 2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]-4-piperidin-4-yl-butanoate dihydrobromide Openeye Name: ethyl 2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-4-(4-piperidyl)butanoate dihydrobromide CAS Name: 2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]-4-(4-piperidinyl)butanoic acid ethyl ester dihydrobromide IUPAC Name: ethyl 2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-4-piperidin-4-ylbutanoate dihydrobromide Traditional Name: 2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-4-(4-piperidyl)butyric acid ethyl ester dihydrobromide Formula: C22H33Br2N3O5S MolecularWeight: 611.38752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1CCNCC1)NOC(=O)CN2C(=O)CCSC3=CC=CC=C32.Br.Br

Isomeric SMILES

CCOC(=O)C(CCC1CCNCC1)NOC(=O)CN2C(=O)CCSC3=CC=CC=C32.Br.Br

InChI

InChI=1S/C22H31N3O5S.2BrH/c1-2-29-22(28)17(8-7-16-9-12-23-13-10-16)24-30-21(27)15-25-18-5-3-4-6-19(18)31-14-11-20(25)26;;/h3-6,16-17,23-24H,2,7-15H2,1H3;2*1H