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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1CCC2=CC=CC=C2N(C1=O)CC(=O)ON)SCCC3CCNCC3

Isomeric SMILES

CCOC(=O)C(CC1CCC2=CC=CC=C2N(C1=O)CC(=O)ON)SCCC3CCNCC3

InChI

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