3-[(3,4-diacetyloxyphenyl)carbonyloxymethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(3,4-diacetyloxyphenyl)carbonyloxymethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(3,4-diacetoxybenzoyl)oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[(3,4-diacetyloxyphenyl)-oxomethoxy]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(3,4-diacetyloxybenzoyl)oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(3,4-diacetoxybenzoyl)oxymethyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H17NO9S MolecularWeight: 435.40458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C(=O)OCC2=C(N3C(CC3=O)SC2)C(=O)O)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C(=O)OCC2=C(N3C(CC3=O)SC2)C(=O)O)OC(=O)C

InChI

InChI=1S/C19H17NO9S/c1-9(21)28-13-4-3-11(5-14(13)29-10(2)22)19(26)27-7-12-8-30-16-6-15(23)20(16)17(12)18(24)25/h3-5,16H,6-8H2,1-2H3,(H,24,25)