ethyl 7-azanyl-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]heptanoate

Systemtic Name: ethyl 7-azanyl-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]heptanoate Openeye Name: ethyl 7-amino-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]heptanoate CAS Name: 7-amino-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]heptanoic acid ethyl ester IUPAC Name: ethyl 7-amino-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]heptanoate Traditional Name: 7-amino-2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]enanthic acid ethyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5S/c1-2-27-20(26)15(8-4-3-7-12-21)22-28-19(25)14-23-16-9-5-6-10-17(16)29-13-11-18(23)24/h5-6,9-10,15,22H,2-4,7-8,11-14,21H2,1H3