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

Systemtic Name: 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]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(4-acetyl-3-hydroxyphenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(4-acetyl-3-hydroxyphenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(4-acetyl-3-hydroxy-phenoxy)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OCC2=C(N3C(CC3=O)SC2)C(=O)O)O

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OCC2=C(N3C(CC3=O)SC2)C(=O)O)O

InChI

InChI=1S/C16H15NO6S/c1-8(18)11-3-2-10(4-12(11)19)23-6-9-7-24-14-5-13(20)17(14)15(9)16(21)22/h2-4,14,19H,5-7H2,1H3,(H,21,22)