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

Systemtic Name: ethyl 2-[3-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoyloxyamino]-4-phenyl-butanoate Openeye Name: ethyl 2-[3-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoyloxyamino]-4-phenyl-butanoate CAS Name: 2-[[1-oxo-3-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)propoxy]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoyloxyamino]-4-phenylbutanoate Traditional Name: 2-[3-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoyloxyamino]-4-phenyl-butyric acid ethyl ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NOC(=O)CCN2C(=O)CCSC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NOC(=O)CCN2C(=O)CCSC3=CC=CC=C32

InChI

InChI=1S/C24H28N2O5S/c1-2-30-24(29)19(13-12-18-8-4-3-5-9-18)25-31-23(28)14-16-26-20-10-6-7-11-21(20)32-17-15-22(26)27/h3-11,19,25H,2,12-17H2,1H3