(2-oxidanylidenethiolan-3-yl)sulfanyl 8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (2-oxidanylidenethiolan-3-yl)sulfanyl 8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (2-oxotetrahydrothiophen-3-yl)sulfanyl 8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(2-oxo-3-thiolanyl)thio] ester IUPAC Name: (2-oxothiolan-3-yl)sulfanyl 8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(2-ketotetrahydrothiophen-3-yl)thio] ester Formula: C19H18N2O5S3 MolecularWeight: 450.55162

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=O)C1SOC(=O)C2=CCSC3N2C(=O)C3NC(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CSC(=O)C1SOC(=O)C2=CCSC3N2C(=O)C3NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C19H18N2O5S3/c22-14(10-11-4-2-1-3-5-11)20-15-16(23)21-12(6-8-27-17(15)21)18(24)26-29-13-7-9-28-19(13)25/h1-6,13,15,17H,7-10H2,(H,20,22)