methyl 7-oxidanylidene-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: methyl 7-oxidanylidene-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: methyl 7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 7-oxo-3-(phenylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid methyl ester IUPAC Name: methyl 7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-3-(phenylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid methyl ester Formula: C14H13NO3S MolecularWeight: 275.32292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CC2N1C(=O)C2)SC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(CC2N1C(=O)C2)SC3=CC=CC=C3

InChI

InChI=1S/C14H13NO3S/c1-18-14(17)13-11(7-9-8-12(16)15(9)13)19-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3