ethyl 2-[5-(2-azanyloxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]-3-(2-piperidin-4-ylethoxy)propanoate

Systemtic Name: ethyl 2-[5-(2-azanyloxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]-3-(2-piperidin-4-ylethoxy)propanoate Openeye Name: ethyl 2-[5-(2-aminooxy-2-oxo-ethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]-3-[2-(4-piperidyl)ethoxy]propanoate CAS Name: 2-[5-(2-aminooxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]-3-[2-(4-piperidinyl)ethoxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[5-(2-aminooxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]-3-(2-piperidin-4-ylethoxy)propanoate Traditional Name: 2-[5-(2-aminooxy-2-keto-ethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-2-yl]-3-[2-(4-piperidyl)ethoxy]propionic acid ethyl ester Formula: C23H33N3O6S MolecularWeight: 479.58962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(COCCC1CCNCC1)C2CC(=O)N(C3=CC=CC=C3S2)CC(=O)ON

Isomeric SMILES

CCOC(=O)C(COCCC1CCNCC1)C2CC(=O)N(C3=CC=CC=C3S2)CC(=O)ON

InChI

InChI=1S/C23H33N3O6S/c1-2-31-23(29)17(15-30-12-9-16-7-10-25-11-8-16)20-13-21(27)26(14-22(28)32-24)18-5-3-4-6-19(18)33-20/h3-6,16-17,20,25H,2,7-15,24H2,1H3