ethyl 6-azanyl-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]hexanoate dihydrochloride

Systemtic Name: ethyl 6-azanyl-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]hexanoate dihydrochloride Openeye Name: ethyl 6-amino-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoate dihydrochloride CAS Name: 6-amino-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]hexanoic acid ethyl ester dihydrochloride IUPAC Name: ethyl 6-amino-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoate dihydrochloride Traditional Name: 6-amino-2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoic acid ethyl ester dihydrochloride Formula: C19H29Cl2N3O5S MolecularWeight: 482.42166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCN)NOC(=O)CN1C(=O)CCSC2=CC=CC=C21.Cl.Cl

Isomeric SMILES

CCOC(=O)C(CCCCN)NOC(=O)CN1C(=O)CCSC2=CC=CC=C21.Cl.Cl

InChI

InChI=1S/C19H27N3O5S.2ClH/c1-2-26-19(25)14(7-5-6-11-20)21-27-18(24)13-22-15-8-3-4-9-16(15)28-12-10-17(22)23;;/h3-4,8-9,14,21H,2,5-7,10-13,20H2,1H3;2*1H