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

Systemtic Name: 7-azanyl-3-[(3,4-diacetyloxyphenyl)carbonyloxymethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[(3,4-diacetoxybenzoyl)oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[[(3,4-diacetyloxyphenyl)-oxomethoxy]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[(3,4-diacetyloxybenzoyl)oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-[(3,4-diacetoxybenzoyl)oxymethyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H18N2O9S MolecularWeight: 450.41922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C(=O)OCC2=C(N3C(C(C3=O)N)SC2)C(=O)O)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C(=O)OCC2=C(N3C(C(C3=O)N)SC2)C(=O)O)OC(=O)C

InChI

InChI=1S/C19H18N2O9S/c1-8(22)29-12-4-3-10(5-13(12)30-9(2)23)19(27)28-6-11-7-31-17-14(20)16(24)21(17)15(11)18(25)26/h3-5,14,17H,6-7,20H2,1-2H3,(H,25,26)