7-oxidanylidene-6-(2-phenylethanoylamino)-3-(phenylmethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 7-oxidanylidene-6-(2-phenylethanoylamino)-3-(phenylmethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-benzylsulfanyl-7-oxo-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 7-oxo-6-[(1-oxo-2-phenylethyl)amino]-3-(phenylmethylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-benzylsulfanyl-7-oxo-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(benzylthio)-7-keto-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(=O)N2C(=C1SCC3=CC=CC=C3)C(=O)O)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

C1C2C(C(=O)N2C(=C1SCC3=CC=CC=C3)C(=O)O)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H20N2O4S/c25-18(11-14-7-3-1-4-8-14)23-19-16-12-17(20(22(27)28)24(16)21(19)26)29-13-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,23,25)(H,27,28)