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

Systemtic Name: 7-(2-chloranylethanoylamino)-3-ethoxycarbonyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-chloroacetyl)amino]-3-ethoxycarbonyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-chloro-1-oxoethyl)amino]-3-ethoxycarbonyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-chloroacetyl)amino]-3-ethoxycarbonyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-carbethoxy-7-[(2-chloroacetyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H13ClN2O6S MolecularWeight: 348.75942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(C(C2=O)NC(=O)CCl)SC1)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(N2C(C(C2=O)NC(=O)CCl)SC1)C(=O)O

InChI

InChI=1S/C12H13ClN2O6S/c1-2-21-12(20)5-4-22-10-7(14-6(16)3-13)9(17)15(10)8(5)11(18)19/h7,10H,2-4H2,1H3,(H,14,16)(H,18,19)