6-(diethylamino)-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]hexanoic acid

Systemtic Name: 6-(diethylamino)-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]hexanoic acid Openeye Name: 6-(diethylamino)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoic acid CAS Name: 6-(diethylamino)-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]hexanoic acid IUPAC Name: 6-(diethylamino)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoic acid Traditional Name: 6-(diethylamino)-2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoic acid Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCC(C(=O)O)NOC(=O)CN1C(=O)CCSC2=CC=CC=C21

Isomeric SMILES

CCN(CC)CCCCC(C(=O)O)NOC(=O)CN1C(=O)CCSC2=CC=CC=C21

InChI

InChI=1S/C21H31N3O5S/c1-3-23(4-2)13-8-7-9-16(21(27)28)22-29-20(26)15-24-17-10-5-6-11-18(17)30-14-12-19(24)25/h5-6,10-11,16,22H,3-4,7-9,12-15H2,1-2H3,(H,27,28)