ethyl 9-azanyl-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]nonanoate

Systemtic Name: ethyl 9-azanyl-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]nonanoate Openeye Name: ethyl 9-amino-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]nonanoate CAS Name: 9-amino-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]nonanoic acid ethyl ester IUPAC Name: ethyl 9-amino-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]nonanoate Traditional Name: 9-amino-2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]pelargonic acid ethyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O5S/c1-2-29-22(28)17(10-6-4-3-5-9-14-23)24-30-21(27)16-25-18-11-7-8-12-19(18)31-15-13-20(25)26/h7-8,11-12,17,24H,2-6,9-10,13-16,23H2,1H3