3-(methoxymethyl)-8-oxidanylidene-7-(phenylmethoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(methoxymethyl)-8-oxidanylidene-7-(phenylmethoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(benzyloxycarbonylamino)-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(methoxymethyl)-8-oxo-7-(phenylmethoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(methoxymethyl)-8-oxo-7-(phenylmethoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-(benzyloxycarbonylamino)-8-keto-3-(methoxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(N2C(C(C2=O)NC(=O)OCC3=CC=CC=C3)SC1)C(=O)O

Isomeric SMILES

COCC1=C(N2C(C(C2=O)NC(=O)OCC3=CC=CC=C3)SC1)C(=O)O

InChI

InChI=1S/C17H18N2O6S/c1-24-8-11-9-26-15-12(14(20)19(15)13(11)16(21)22)18-17(23)25-7-10-5-3-2-4-6-10/h2-6,12,15H,7-9H2,1H3,(H,18,23)(H,21,22)