azanyl 2-[(3Z,5Z,7Z)-3-(2-ethanoylsulfanyl-3-phenyl-propanoyl)-2-oxidanylidene-azocin-1-yl]ethanoate

Systemtic Name: azanyl 2-[(3Z,5Z,7Z)-3-(2-ethanoylsulfanyl-3-phenyl-propanoyl)-2-oxidanylidene-azocin-1-yl]ethanoate Openeye Name: amino 2-[(3Z,5Z,7Z)-3-(2-acetylsulfanyl-3-phenyl-propanoyl)-2-oxo-azocin-1-yl]acetate CAS Name: 2-[(3Z,5Z,7Z)-3-[2-(acetylthio)-1-oxo-3-phenylpropyl]-2-oxo-1-azocinyl]acetic acid amino ester IUPAC Name: amino 2-[(3Z,5Z,7Z)-3-(2-acetylsulfanyl-3-phenylpropanoyl)-2-oxoazocin-1-yl]acetate Traditional Name: 2-[(3Z,5Z,7Z)-3-[2-(acetylthio)-3-phenyl-propanoyl]-2-keto-azocin-1-yl]acetic acid amino ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CC=CC=C1)C(=O)C2=CC=CC=CN(C2=O)CC(=O)ON

Isomeric SMILES

CC(=O)SC(CC1=CC=CC=C1)C(=O)/C/2=C/C=C\C=C/N(C2=O)CC(=O)ON

InChI

InChI=1S/C20H20N2O5S/c1-14(23)28-17(12-15-8-4-2-5-9-15)19(25)16-10-6-3-7-11-22(20(16)26)13-18(24)27-21/h2-11,17H,12-13,21H2,1H3/b6-3-,11-7-,16-10-