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

Systemtic Name: 8-oxidanylidene-3-(phenylmethoxycarbonylcarbamoyloxymethyl)-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(benzyloxycarbonylcarbamoyloxymethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-3-[[oxo(phenylmethoxycarbonylamino)methoxy]methyl]-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-3-(phenylmethoxycarbonylcarbamoyloxymethyl)-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(carbobenzoxycarbamoyloxymethyl)-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H21N3O8S2 MolecularWeight: 531.55814

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)O)COC(=O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)O)COC(=O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O8S2/c27-16(9-15-7-4-8-35-15)24-17-19(28)26-18(21(29)30)14(12-36-20(17)26)11-34-23(32)25-22(31)33-10-13-5-2-1-3-6-13/h1-8,17,20H,9-12H2,(H,24,27)(H,29,30)(H,25,31,32)