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

Systemtic Name: 7-methoxy-3-(methylsulfanylmethyl)-8-oxidanylidene-7-(2-thiophen-2-ylsulfinylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-methoxy-3-(methylsulfanylmethyl)-8-oxo-7-[[2-(2-thienylsulfinyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-methoxy-3-[(methylthio)methyl]-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: 7-methoxy-3-(methylsulfanylmethyl)-8-oxo-7-[(2-thiophen-2-ylsulfinylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-methoxy-3-[(methylthio)methyl]-7-[[2-(2-thienylsulfinyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H18N2O6S4 MolecularWeight: 462.58392

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)CSC)C(=O)O)NC(=O)CS(=O)C3=CC=CS3

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)CSC)C(=O)O)NC(=O)CS(=O)C3=CC=CS3

InChI

InChI=1S/C16H18N2O6S4/c1-24-16(17-10(19)8-28(23)11-4-3-5-26-11)14(22)18-12(13(20)21)9(6-25-2)7-27-15(16)18/h3-5,15H,6-8H2,1-2H3,(H,17,19)(H,20,21)