7-[N-(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-prop-1-enyl)-S-methyl-sulfonimidoyl]-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 7-[N-(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-prop-1-enyl)-S-methyl-sulfonimidoyl]-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 7-[N-(3-ethoxy-2-ethoxycarbonyl-3-oxo-prop-1-enyl)-S-methyl-sulfonimidoyl]-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-[N-(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)-S-methylsulfonimidoyl]-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 7-[N-(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)-S-methylsulfonimidoyl]-9-oxoxanthene-2-carboxylic acid Traditional Name: 7-[N-(2-carbethoxy-3-ethoxy-3-keto-prop-1-enyl)-S-methyl-sulfonimidoyl]-9-keto-xanthene-2-carboxylic acid Formula: C23H21NO9S MolecularWeight: 487.47914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN=S(=O)(C)C1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)C(=O)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CN=S(=O)(C)C1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)C(=O)O)C(=O)OCC

InChI

InChI=1S/C23H21NO9S/c1-4-31-22(28)17(23(29)32-5-2)12-24-34(3,30)14-7-9-19-16(11-14)20(25)15-10-13(21(26)27)6-8-18(15)33-19/h6-12H,4-5H2,1-3H3,(H,26,27)