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

Systemtic Name: 3-(acetyloxymethyl)-7-methoxy-8-oxidanylidene-7-(2-prop-2-ynylsulfinylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-methoxy-8-oxo-7-[(2-prop-2-ynylsulfinylacetyl)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-prop-2-ynylsulfinylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-methoxy-8-oxo-7-[(2-prop-2-ynylsulfinylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-8-keto-7-methoxy-7-[(2-propargylsulfinylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H18N2O8S2 MolecularWeight: 430.45272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O8S2/c1-4-5-28(24)8-11(20)17-16(25-3)14(23)18-12(13(21)22)10(6-26-9(2)19)7-27-15(16)18/h1,15H,5-8H2,2-3H3,(H,17,20)(H,21,22)