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

Systemtic Name: ethyl 2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]-4-(thian-4-yl)butanoate Openeye Name: ethyl 2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-4-tetrahydrothiopyran-4-yl-butanoate CAS Name: 2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]-4-(4-thianyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-4-(thian-4-yl)butanoate Traditional Name: 2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-4-tetrahydrothiopyran-4-yl-butyric acid ethyl ester Formula: C22H30N2O5S2 MolecularWeight: 466.614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1CCSCC1)NOC(=O)CN2C(=O)CCSC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C(CCC1CCSCC1)NOC(=O)CN2C(=O)CCSC3=CC=CC=C32

InChI

InChI=1S/C22H30N2O5S2/c1-2-28-22(27)17(8-7-16-9-12-30-13-10-16)23-29-21(26)15-24-18-5-3-4-6-19(18)31-14-11-20(24)25/h3-6,16-17,23H,2,7-15H2,1H3