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

Systemtic Name: 3-(aminocarbonyloxymethyl)-7-(2-carbamimidoylsulfanylethanoylamino)-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-carbamimidoylsulfanylacetyl)amino]-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-(carbamimidoylthio)-1-oxoethyl]amino]-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-carbamimidoylsulfanylacetyl)amino]-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(amidinothio)acetyl]amino]-3-(carbamoyloxymethyl)-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H17N5O7S2 MolecularWeight: 419.43338

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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)CSC(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5O7S2/c1-24-13(17-6(19)4-27-11(14)15)9(22)18-7(8(20)21)5(2-25-12(16)23)3-26-10(13)18/h10H,2-4H2,1H3,(H3,14,15)(H2,16,23)(H,17,19)(H,20,21)