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

Systemtic Name: 3-[(4-carboxyphenoxy)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(4-carboxyphenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(4-carboxyphenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(4-carboxyphenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(4-carboxyphenoxy)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H13NO6S MolecularWeight: 335.33182

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(CS2)COC3=CC=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1C2N(C1=O)C(=C(CS2)COC3=CC=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C15H13NO6S/c17-11-5-12-16(11)13(15(20)21)9(7-23-12)6-22-10-3-1-8(2-4-10)14(18)19/h1-4,12H,5-7H2,(H,18,19)(H,20,21)