ethyl 9-azanyl-2-[5-(2-azanyloxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]nonanoate

Systemtic Name: ethyl 9-azanyl-2-[5-(2-azanyloxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]nonanoate Openeye Name: ethyl 9-amino-2-[5-(2-aminooxy-2-oxo-ethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]nonanoate CAS Name: 9-amino-2-[5-(2-aminooxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]nonanoic acid ethyl ester IUPAC Name: ethyl 9-amino-2-[5-(2-aminooxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]nonanoate Traditional Name: 9-amino-2-[5-(2-aminooxy-2-keto-ethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-2-yl]pelargonic acid ethyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCCCN)C1CC(=O)N(C2=CC=CC=C2S1)CC(=O)ON

Isomeric SMILES

CCOC(=O)C(CCCCCCCN)C1CC(=O)N(C2=CC=CC=C2S1)CC(=O)ON

InChI

InChI=1S/C22H33N3O5S/c1-2-29-22(28)16(10-6-4-3-5-9-13-23)19-14-20(26)25(15-21(27)30-24)17-11-7-8-12-18(17)31-19/h7-8,11-12,16,19H,2-6,9-10,13-15,23-24H2,1H3