methyl 7-methoxy-3-methyl-7-(2-methylsulfanylethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: methyl 7-methoxy-3-methyl-7-(2-methylsulfanylethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: methyl 7-methoxy-3-methyl-7-[(2-methylsulfanylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-methoxy-3-methyl-7-[[2-(methylthio)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester IUPAC Name: methyl 7-methoxy-3-methyl-7-[(2-methylsulfanylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-methoxy-3-methyl-7-[[2-(methylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester Formula: C13H18N2O5S2 MolecularWeight: 346.42242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)(NC(=O)CSC)OC)SC1)C(=O)OC

Isomeric SMILES

CC1=C(N2C(C(C2=O)(NC(=O)CSC)OC)SC1)C(=O)OC

InChI

InChI=1S/C13H18N2O5S2/c1-7-5-22-12-13(20-3,14-8(16)6-21-4)11(18)15(12)9(7)10(17)19-2/h12H,5-6H2,1-4H3,(H,14,16)