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

Systemtic Name: 3-(aminocarbonyloxymethyl)-7-(2-chloranylethanoylamino)-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(carbamoyloxymethyl)-7-[(2-chloroacetyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(carbamoyloxymethyl)-7-[(2-chloro-1-oxoethyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(carbamoyloxymethyl)-7-[(2-chloroacetyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(carbamoyloxymethyl)-7-[(2-chloroacetyl)amino]-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H14ClN3O7S MolecularWeight: 379.77346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CCl

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CCl

InChI

InChI=1S/C12H14ClN3O7S/c1-22-12(15-6(17)2-13)9(20)16-7(8(18)19)5(3-23-11(14)21)4-24-10(12)16/h10H,2-4H2,1H3,(H2,14,21)(H,15,17)(H,18,19)