7-azanyl-3-[(4-methylsulfinylphenoxy)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-[(4-methylsulfinylphenoxy)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[(4-methylsulfinylphenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[(4-methylsulfinylphenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[(4-methylsulfinylphenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-[(4-methylsulfinylphenoxy)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H16N2O5S2 MolecularWeight: 368.42794

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC=C(C=C1)OCC2=C(N3C(C(C3=O)N)SC2)C(=O)O

Isomeric SMILES

CS(=O)C1=CC=C(C=C1)OCC2=C(N3C(C(C3=O)N)SC2)C(=O)O

InChI

InChI=1S/C15H16N2O5S2/c1-24(21)10-4-2-9(3-5-10)22-6-8-7-23-14-11(16)13(18)17(14)12(8)15(19)20/h2-5,11,14H,6-7,16H2,1H3,(H,19,20)