azanyl 2-[6-(2-ethanoylsulfanyl-3-phenyl-propanoyl)-7-oxidanylidene-2H-azepin-1-yl]ethanoate

Systemtic Name: azanyl 2-[6-(2-ethanoylsulfanyl-3-phenyl-propanoyl)-7-oxidanylidene-2H-azepin-1-yl]ethanoate Openeye Name: amino 2-[6-(2-acetylsulfanyl-3-phenyl-propanoyl)-7-oxo-2H-azepin-1-yl]acetate CAS Name: 2-[6-[2-(acetylthio)-1-oxo-3-phenylpropyl]-7-oxo-2H-azepin-1-yl]acetic acid amino ester IUPAC Name: amino 2-[6-(2-acetylsulfanyl-3-phenylpropanoyl)-7-oxo-2H-azepin-1-yl]acetate Traditional Name: 2-[6-[2-(acetylthio)-3-phenyl-propanoyl]-7-keto-2H-azepin-1-yl]acetic acid amino ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c1-13(22)27-16(11-14-7-3-2-4-8-14)18(24)15-9-5-6-10-21(19(15)25)12-17(23)26-20/h2-9,16H,10-12,20H2,1H3