ethyl 8-azanyl-2-[5-(2-azanyloxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]octanoate

Systemtic Name: ethyl 8-azanyl-2-[5-(2-azanyloxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]octanoate Openeye Name: ethyl 8-amino-2-[5-(2-aminooxy-2-oxo-ethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]octanoate CAS Name: 8-amino-2-[5-(2-aminooxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]octanoic acid ethyl ester IUPAC Name: ethyl 8-amino-2-[5-(2-aminooxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]octanoate Traditional Name: 8-amino-2-[5-(2-aminooxy-2-keto-ethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-2-yl]caprylic acid ethyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5S/c1-2-28-21(27)15(9-5-3-4-8-12-22)18-13-19(25)24(14-20(26)29-23)16-10-6-7-11-17(16)30-18/h6-7,10-11,15,18H,2-5,8-9,12-14,22-23H2,1H3