2-methylpropyl 2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]-4-phenyl-butanoate

Systemtic Name: 2-methylpropyl 2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]-4-phenyl-butanoate Openeye Name: isobutyl 2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-4-phenyl-butanoate CAS Name: 2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]-4-phenylbutanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-4-phenylbutanoate Traditional Name: 2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-4-phenyl-butyric acid isobutyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(CCC1=CC=CC=C1)NOC(=O)CN2C(=O)CCSC3=CC=CC=C32

Isomeric SMILES

CC(C)COC(=O)C(CCC1=CC=CC=C1)NOC(=O)CN2C(=O)CCSC3=CC=CC=C32

InChI

InChI=1S/C25H30N2O5S/c1-18(2)17-31-25(30)20(13-12-19-8-4-3-5-9-19)26-32-24(29)16-27-21-10-6-7-11-22(21)33-15-14-23(27)28/h3-11,18,20,26H,12-17H2,1-2H3