ethyl 11-azanyl-2-[5-(2-azanyloxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]undecanoate

Systemtic Name: ethyl 11-azanyl-2-[5-(2-azanyloxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]undecanoate Openeye Name: ethyl 11-amino-2-[5-(2-aminooxy-2-oxo-ethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]undecanoate CAS Name: 11-amino-2-[5-(2-aminooxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]undecanoic acid ethyl ester IUPAC Name: ethyl 11-amino-2-[5-(2-aminooxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]undecanoate Traditional Name: 11-amino-2-[5-(2-aminooxy-2-keto-ethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-2-yl]undecanoic acid ethyl ester Formula: C24H37N3O5S MolecularWeight: 479.63268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H37N3O5S/c1-2-31-24(30)18(12-8-6-4-3-5-7-11-15-25)21-16-22(28)27(17-23(29)32-26)19-13-9-10-14-20(19)33-21/h9-10,13-14,18,21H,2-8,11-12,15-17,25-26H2,1H3