ethyl 11-azanyl-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]undecanoate

Systemtic Name: ethyl 11-azanyl-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]undecanoate Openeye Name: ethyl 11-amino-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]undecanoate CAS Name: 11-amino-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]undecanoic acid ethyl ester IUPAC Name: ethyl 11-amino-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]undecanoate Traditional Name: 11-amino-2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]undecanoic acid ethyl ester Formula: C24H37N3O5S MolecularWeight: 479.63268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCCCCCN)NOC(=O)CN1C(=O)CCSC2=CC=CC=C21

Isomeric SMILES

CCOC(=O)C(CCCCCCCCCN)NOC(=O)CN1C(=O)CCSC2=CC=CC=C21

InChI

InChI=1S/C24H37N3O5S/c1-2-31-24(30)19(12-8-6-4-3-5-7-11-16-25)26-32-23(29)18-27-20-13-9-10-14-21(20)33-17-15-22(27)28/h9-10,13-14,19,26H,2-8,11-12,15-18,25H2,1H3