7-(2-cyclohexylethanoylamino)-3-(dimethylcarbamoyloxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(2-cyclohexylethanoylamino)-3-(dimethylcarbamoyloxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-cyclohexylacetyl)amino]-3-(dimethylcarbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-cyclohexyl-1-oxoethyl)amino]-3-[[dimethylamino(oxo)methoxy]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-cyclohexylacetyl)amino]-3-(dimethylcarbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-cyclohexylacetyl)amino]-3-(dimethylcarbamoyloxymethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3CCCCC3)SC1)C(=O)O

Isomeric SMILES

CN(C)C(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3CCCCC3)SC1)C(=O)O

InChI

InChI=1S/C19H27N3O6S/c1-21(2)19(27)28-9-12-10-29-17-14(16(24)22(17)15(12)18(25)26)20-13(23)8-11-6-4-3-5-7-11/h11,14,17H,3-10H2,1-2H3,(H,20,23)(H,25,26)