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

Systemtic Name: azanyl 2-[6-(2-ethanoylsulfanyl-3-phenyl-propanoyl)-7-oxidanylidene-2-propyl-2H-azepin-1-yl]ethanoate Openeye Name: amino 2-[6-(2-acetylsulfanyl-3-phenyl-propanoyl)-7-oxo-2-propyl-2H-azepin-1-yl]acetate CAS Name: 2-[6-[2-(acetylthio)-1-oxo-3-phenylpropyl]-7-oxo-2-propyl-2H-azepin-1-yl]acetic acid amino ester IUPAC Name: amino 2-[6-(2-acetylsulfanyl-3-phenylpropanoyl)-7-oxo-2-propyl-2H-azepin-1-yl]acetate Traditional Name: 2-[6-[2-(acetylthio)-3-phenyl-propanoyl]-7-keto-2-propyl-2H-azepin-1-yl]acetic acid amino ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C=CC=C(C(=O)N1CC(=O)ON)C(=O)C(CC2=CC=CC=C2)SC(=O)C

Isomeric SMILES

CCCC1C=CC=C(C(=O)N1CC(=O)ON)C(=O)C(CC2=CC=CC=C2)SC(=O)C

InChI

InChI=1S/C22H26N2O5S/c1-3-8-17-11-7-12-18(22(28)24(17)14-20(26)29-23)21(27)19(30-15(2)25)13-16-9-5-4-6-10-16/h4-7,9-12,17,19H,3,8,13-14,23H2,1-2H3