3-(2-azanylethylsulfanyl)-7-oxidanylidene-6-(1-oxidanyl-2-phenyl-ethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(2-azanylethylsulfanyl)-7-oxidanylidene-6-(1-oxidanyl-2-phenyl-ethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(2-aminoethylsulfanyl)-6-(1-hydroxy-2-phenyl-ethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(2-aminoethylthio)-6-(1-hydroxy-2-phenylethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(2-aminoethylsulfanyl)-6-(1-hydroxy-2-phenylethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(2-aminoethylthio)-6-(1-hydroxy-2-phenyl-ethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(=O)N2C(=C1SCCN)C(=O)O)C(CC3=CC=CC=C3)O

Isomeric SMILES

C1C2C(C(=O)N2C(=C1SCCN)C(=O)O)C(CC3=CC=CC=C3)O

InChI

InChI=1S/C17H20N2O4S/c18-6-7-24-13-9-11-14(16(21)19(11)15(13)17(22)23)12(20)8-10-4-2-1-3-5-10/h1-5,11-12,14,20H,6-9,18H2,(H,22,23)