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

Systemtic Name: ethyl 4-(4-methylphenyl)-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]butanoate Openeye Name: ethyl 2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-4-(p-tolyl)butanoate CAS Name: 4-(4-methylphenyl)-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]butanoate Traditional Name: 2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-4-(p-tolyl)butyric acid ethyl ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O5S/c1-3-30-24(29)19(13-12-18-10-8-17(2)9-11-18)25-31-23(28)16-26-20-6-4-5-7-21(20)32-15-14-22(26)27/h4-11,19,25H,3,12-16H2,1-2H3