7-acetamido-7-methoxy-8-oxidanylidene-3-(1-oxidanyl-1-phenyl-ethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-acetamido-7-methoxy-8-oxidanylidene-3-(1-oxidanyl-1-phenyl-ethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-acetamido-3-(1-hydroxy-1-phenyl-ethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-acetamido-3-(1-hydroxy-1-phenylethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-acetamido-3-(1-hydroxy-1-phenylethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-acetamido-3-(1-hydroxy-1-phenyl-ethyl)-8-keto-7-methoxy-5-thia-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:

CC(=O)NC1(C2N(C1=O)C(=C(CS2)C(C)(C3=CC=CC=C3)O)C(=O)O)OC

Isomeric SMILES

CC(=O)NC1(C2N(C1=O)C(=C(CS2)C(C)(C3=CC=CC=C3)O)C(=O)O)OC

InChI

InChI=1S/C18H20N2O6S/c1-10(21)19-18(26-3)15(24)20-13(14(22)23)12(9-27-16(18)20)17(2,25)11-7-5-4-6-8-11/h4-8,16,25H,9H2,1-3H3,(H,19,21)(H,22,23)