3-(2-azanylethylsulfanyl)-5-methyl-7-oxidanylidene-6-(1-oxidanyl-2-phenyl-ethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(2-azanylethylsulfanyl)-5-methyl-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)-5-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(2-aminoethylthio)-6-(1-hydroxy-2-phenylethyl)-5-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(2-aminoethylsulfanyl)-6-(1-hydroxy-2-phenylethyl)-5-methyl-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-5-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=C(N1C(=O)C2C(CC3=CC=CC=C3)O)C(=O)O)SCCN

Isomeric SMILES

CC12CC(=C(N1C(=O)C2C(CC3=CC=CC=C3)O)C(=O)O)SCCN

InChI

InChI=1S/C18H22N2O4S/c1-18-10-13(25-8-7-19)15(17(23)24)20(18)16(22)14(18)12(21)9-11-5-3-2-4-6-11/h2-6,12,14,21H,7-10,19H2,1H3,(H,23,24)