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

Systemtic Name: 3-[(3-methylphenoxy)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(3-methylphenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(3-methylphenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(3-methylphenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-[(3-methylphenoxy)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=C(N3C(CC3=O)SC2)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=C(N3C(CC3=O)SC2)C(=O)O

InChI

InChI=1S/C15H15NO4S/c1-9-3-2-4-11(5-9)20-7-10-8-21-13-6-12(17)16(13)14(10)15(18)19/h2-5,13H,6-8H2,1H3,(H,18,19)