3-(acetyloxymethyl)-7-methoxy-8-oxidanylidene-7-(2-prop-2-ynylsulfanylethanoylamino)-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-ynylsulfanylethanoylamino)-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-ynylsulfanylacetyl)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-ynylthio)ethyl]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-ynylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-8-keto-7-methoxy-7-[[2-(propargylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H18N2O7S2 MolecularWeight: 414.45332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O7S2/c1-4-5-26-8-11(20)17-16(24-3)14(23)18-12(13(21)22)10(6-25-9(2)19)7-27-15(16)18/h1,15H,5-8H2,2-3H3,(H,17,20)(H,21,22)