7-[(3-methoxyphenyl)carbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(3-methoxyphenyl)carbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(3-methoxybenzoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(3-methoxyphenyl)-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(3-methoxybenzoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-(m-anisoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H14N2O5S MolecularWeight: 334.34706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)O

InChI

InChI=1S/C15H14N2O5S/c1-22-9-4-2-3-8(7-9)12(18)16-11-13(19)17-10(15(20)21)5-6-23-14(11)17/h2-5,7,11,14H,6H2,1H3,(H,16,18)(H,20,21)