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

Systemtic Name: 3-(aminocarbonyloxymethyl)-7-methoxy-8-oxidanylidene-7-(2-prop-2-ynylsulfanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-prop-2-ynylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[[1-oxo-2-(prop-2-ynylthio)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-prop-2-ynylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(carbamoyloxymethyl)-8-keto-7-methoxy-7-[[2-(propargylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H17N3O7S2 MolecularWeight: 415.44138

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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)CSCC#C

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O7S2/c1-3-4-26-7-9(19)17-15(24-2)12(22)18-10(11(20)21)8(5-25-14(16)23)6-27-13(15)18/h1,13H,4-7H2,2H3,(H2,16,23)(H,17,19)(H,20,21)