ethyl 8-azanyl-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]octanoate

Systemtic Name: ethyl 8-azanyl-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]octanoate Openeye Name: ethyl 8-amino-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]octanoate CAS Name: 8-amino-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]octanoic acid ethyl ester IUPAC Name: ethyl 8-amino-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]octanoate Traditional Name: 8-amino-2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]caprylic acid ethyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5S/c1-2-28-21(27)16(9-5-3-4-8-13-22)23-29-20(26)15-24-17-10-6-7-11-18(17)30-14-12-19(24)25/h6-7,10-11,16,23H,2-5,8-9,12-15,22H2,1H3