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

Systemtic Name: 7-methoxy-3-(methylsulfanylmethyl)-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-methoxy-3-(methylsulfanylmethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-methoxy-3-[(methylthio)methyl]-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-methoxy-3-(methylsulfanylmethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-methoxy-3-[(methylthio)methyl]-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H20N2O6S2 MolecularWeight: 424.4912

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)CSC)C(=O)O)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)CSC)C(=O)O)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O6S2/c1-25-18(19-13(21)8-26-12-6-4-3-5-7-12)16(24)20-14(15(22)23)11(9-27-2)10-28-17(18)20/h3-7,17H,8-10H2,1-2H3,(H,19,21)(H,22,23)