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

Systemtic Name: 7-azanyl-3-[(2-carboxyphenyl)carbonyloxymethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[(2-carboxybenzoyl)oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[[(2-carboxyphenyl)-oxomethoxy]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[(2-carboxybenzoyl)oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-[(2-carboxybenzoyl)oxymethyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H14N2O7S MolecularWeight: 378.35656

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)COC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)COC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H14N2O7S/c17-10-12(19)18-11(15(22)23)7(6-26-13(10)18)5-25-16(24)9-4-2-1-3-8(9)14(20)21/h1-4,10,13H,5-6,17H2,(H,20,21)(H,22,23)