(6R,7R)-7-methoxy-3-(methylsulfanylmethyl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-methoxy-3-(methylsulfanylmethyl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-methoxy-3-(methylsulfanylmethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-methoxy-3-[(methylthio)methyl]-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-methoxy-3-(methylsulfanylmethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-8-keto-7-methoxy-3-[(methylthio)methyl]-7-[(2-phenylacetyl)amino]-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CO2)CSC)C(=O)O)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CO[C@@]1([C@@H]2N(C1=O)C(=C(CO2)CSC)C(=O)O)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O6S/c1-25-18(19-13(21)8-11-6-4-3-5-7-11)16(24)20-14(15(22)23)12(10-27-2)9-26-17(18)20/h3-7,17H,8-10H2,1-2H3,(H,19,21)(H,22,23)/t17-,18+/m1/s1