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

Systemtic Name: 3-(aminocarbonyloxymethyl)-7-methoxy-7-(2-methylsulfinylethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(carbamoyloxymethyl)-7-methoxy-7-[(2-methylsulfinylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(carbamoyloxymethyl)-7-methoxy-7-[(2-methylsulfinyl-1-oxoethyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(carbamoyloxymethyl)-7-methoxy-7-[(2-methylsulfinylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(carbamoyloxymethyl)-8-keto-7-methoxy-7-[(2-methylsulfinylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H17N3O8S2 MolecularWeight: 407.41938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O8S2/c1-23-13(15-7(17)5-26(2)22)10(20)16-8(9(18)19)6(3-24-12(14)21)4-25-11(13)16/h11H,3-5H2,1-2H3,(H2,14,21)(H,15,17)(H,18,19)