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

Systemtic Name: ethyl 2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]decanoate Openeye Name: ethyl 2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]decanoate CAS Name: 2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]decanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]decanoate Traditional Name: 2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]capric acid ethyl ester Formula: C23H34N2O5S MolecularWeight: 450.59146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)OCC)NOC(=O)CN1C(=O)CCSC2=CC=CC=C21

Isomeric SMILES

CCCCCCCCC(C(=O)OCC)NOC(=O)CN1C(=O)CCSC2=CC=CC=C21

InChI

InChI=1S/C23H34N2O5S/c1-3-5-6-7-8-9-12-18(23(28)29-4-2)24-30-22(27)17-25-19-13-10-11-14-20(19)31-16-15-21(25)26/h10-11,13-14,18,24H,3-9,12,15-17H2,1-2H3