ethyl (6S,7S)-8-oxidanylidene-6-phenyl-7-phenylsulfanyl-5-thia-1-azabicyclo[4.2.0]octane-7-carboxylate

Systemtic Name: ethyl (6S,7S)-8-oxidanylidene-6-phenyl-7-phenylsulfanyl-5-thia-1-azabicyclo[4.2.0]octane-7-carboxylate Openeye Name: ethyl (6S,7S)-8-oxo-6-phenyl-7-phenylsulfanyl-5-thia-1-azabicyclo[4.2.0]octane-7-carboxylate CAS Name: (6S,7S)-8-oxo-6-phenyl-7-(phenylthio)-5-thia-1-azabicyclo[4.2.0]octane-7-carboxylic acid ethyl ester IUPAC Name: ethyl (6S,7S)-8-oxo-6-phenyl-7-phenylsulfanyl-5-thia-1-azabicyclo[4.2.0]octane-7-carboxylate Traditional Name: (6S,7S)-8-keto-6-phenyl-7-(phenylthio)-5-thia-1-azabicyclo[4.2.0]octane-7-carboxylic acid ethyl ester Formula: C21H21NO3S2 MolecularWeight: 399.52634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=O)N2C1(SCCC2)C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@]1(C(=O)N2[C@]1(SCCC2)C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H21NO3S2/c1-2-25-19(24)20(27-17-12-7-4-8-13-17)18(23)22-14-9-15-26-21(20,22)16-10-5-3-6-11-16/h3-8,10-13H,2,9,14-15H2,1H3/t20-,21-/m0/s1