8-oxidanylidene-3-(phenylcarbonylsulfanylmethyl)-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-3-(phenylcarbonylsulfanylmethyl)-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Openeye Name: 3-(benzoylsulfanylmethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid CAS Name: 3-[(benzoylthio)methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid IUPAC Name: 3-(benzoylsulfanylmethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Traditional Name: 3-[(benzoylthio)methyl]-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Formula: C21H18N2O5S3 MolecularWeight: 474.57302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCC2=CSC3C(C(=O)N3C2C(=O)O)NC(=O)CC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCC2=CSC3C(C(=O)N3C2C(=O)O)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C21H18N2O5S3/c24-15(9-14-7-4-8-29-14)22-16-18(25)23-17(20(26)27)13(10-30-19(16)23)11-31-21(28)12-5-2-1-3-6-12/h1-8,10,16-17,19H,9,11H2,(H,22,24)(H,26,27)