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

Systemtic Name: 7-(2-chloroethylcarbamoylamino)-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(2-chloroethylcarbamoylamino)-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2-chloroethylamino)-oxomethyl]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-(2-chloroethylcarbamoylamino)-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-(2-chloroethylcarbamoylamino)-8-keto-3-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C11H14ClN3O5S MolecularWeight: 335.76396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N2C(C(C2=O)NC(=O)NCCCl)SC1)C(=O)O

Isomeric SMILES

COC1=C(N2C(C(C2=O)NC(=O)NCCCl)SC1)C(=O)O

InChI

InChI=1S/C11H14ClN3O5S/c1-20-5-4-21-9-6(14-11(19)13-3-2-12)8(16)15(9)7(5)10(17)18/h6,9H,2-4H2,1H3,(H,17,18)(H2,13,14,19)