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

Systemtic Name: 3-(acetyloxymethyl)-7-methoxy-8-oxidanylidene-7-(2-thiophen-2-ylsulfinylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-methoxy-8-oxo-7-[[2-(2-thienylsulfinyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-methoxy-8-oxo-7-[(1-oxo-2-thiophen-2-ylsulfinylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylsulfinylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-8-keto-7-methoxy-7-[[2-(2-thienylsulfinyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H18N2O8S3 MolecularWeight: 474.52842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)CS(=O)C3=CC=CS3)OC)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)CS(=O)C3=CC=CS3)OC)SC1)C(=O)O

InChI

InChI=1S/C17H18N2O8S3/c1-9(20)27-6-10-7-29-16-17(26-2,15(24)19(16)13(10)14(22)23)18-11(21)8-30(25)12-4-3-5-28-12/h3-5,16H,6-8H2,1-2H3,(H,18,21)(H,22,23)