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

Systemtic Name: azanyl 2-[6-[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]-7-oxidanylidene-2H-azepin-1-yl]ethanoate Openeye Name: amino 2-[6-[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]-7-oxo-2H-azepin-1-yl]acetate CAS Name: 2-[6-[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]-7-oxo-2H-azepin-1-yl]acetic acid amino ester IUPAC Name: amino 2-[6-[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]-7-oxo-2H-azepin-1-yl]acetate Traditional Name: 2-[6-[2-[(acetylthio)methyl]-3-phenyl-propanoyl]-7-keto-2H-azepin-1-yl]acetic acid amino ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-14(23)28-13-16(11-15-7-3-2-4-8-15)19(25)17-9-5-6-10-22(20(17)26)12-18(24)27-21/h2-9,16H,10-13,21H2,1H3