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

Systemtic Name: azanyl 2-[7-oxidanylidene-6-(3-phenyl-2-sulfanyl-propanoyl)-2-propyl-2H-azepin-1-yl]ethanoate Openeye Name: amino 2-[7-oxo-6-(3-phenyl-2-sulfanyl-propanoyl)-2-propyl-2H-azepin-1-yl]acetate CAS Name: 2-[6-(2-mercapto-1-oxo-3-phenylpropyl)-7-oxo-2-propyl-2H-azepin-1-yl]acetic acid amino ester IUPAC Name: amino 2-[7-oxo-6-(3-phenyl-2-sulfanylpropanoyl)-2-propyl-2H-azepin-1-yl]acetate Traditional Name: 2-[7-keto-6-(2-mercapto-3-phenyl-propanoyl)-2-propyl-2H-azepin-1-yl]acetic acid amino ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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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)S

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S/c1-2-7-15-10-6-11-16(20(25)22(15)13-18(23)26-21)19(24)17(27)12-14-8-4-3-5-9-14/h3-6,8-11,15,17,27H,2,7,12-13,21H2,1H3