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

Systemtic Name: 7-azanyl-3-[(4-ethanoyl-3-oxidanyl-phenoxy)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(4-acetyl-3-hydroxy-phenoxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(4-acetyl-3-hydroxyphenoxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(4-acetyl-3-hydroxyphenoxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(4-acetyl-3-hydroxy-phenoxy)methyl]-7-amino-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O6S/c1-7(19)10-3-2-9(4-11(10)20)24-5-8-6-25-15-12(17)14(21)18(15)13(8)16(22)23/h2-4,12,15,20H,5-6,17H2,1H3,(H,22,23)