ethyl 2-[1-(2-azanyloxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]-3-(2-piperidin-4-ylethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[1-(2-azanyloxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]-3-(2-piperidin-4-ylethylsulfanyl)propanoate Openeye Name: ethyl 2-[1-(2-aminooxy-2-oxo-ethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-[2-(4-piperidyl)ethylsulfanyl]propanoate CAS Name: 2-[1-(2-aminooxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-[2-(4-piperidinyl)ethylthio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-aminooxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-(2-piperidin-4-ylethylsulfanyl)propanoate Traditional Name: 2-[1-(2-aminooxy-2-keto-ethyl)-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]-3-[2-(4-piperidyl)ethylthio]propionic acid ethyl ester Formula: C24H35N3O5S MolecularWeight: 477.6168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCCC1CCNCC1)C2CCC3=CC=CC=C3N(C2=O)CC(=O)ON

Isomeric SMILES

CCOC(=O)C(CSCCC1CCNCC1)C2CCC3=CC=CC=C3N(C2=O)CC(=O)ON

InChI

InChI=1S/C24H35N3O5S/c1-2-31-24(30)20(16-33-14-11-17-9-12-26-13-10-17)19-8-7-18-5-3-4-6-21(18)27(23(19)29)15-22(28)32-25/h3-6,17,19-20,26H,2,7-16,25H2,1H3