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

Systemtic Name: ethyl 5-methyl-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]hexanoate Openeye Name: ethyl 5-methyl-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoate CAS Name: 5-methyl-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoate Traditional Name: 2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-5-methyl-hexanoic acid ethyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5S/c1-4-26-20(25)15(10-9-14(2)3)21-27-19(24)13-22-16-7-5-6-8-17(16)28-12-11-18(22)23/h5-8,14-15,21H,4,9-13H2,1-3H3