methyl 7-[N-(2-chloranylethanoyl)-S-methyl-sulfonimidoyl]-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: methyl 7-[N-(2-chloranylethanoyl)-S-methyl-sulfonimidoyl]-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: methyl 7-[N-(2-chloroacetyl)-S-methyl-sulfonimidoyl]-9-oxo-xanthene-2-carboxylate CAS Name: 7-[N-(2-chloro-1-oxoethyl)-S-methylsulfonimidoyl]-9-oxo-2-xanthenecarboxylic acid methyl ester IUPAC Name: methyl 7-[N-(2-chloroacetyl)-S-methylsulfonimidoyl]-9-oxoxanthene-2-carboxylate Traditional Name: 7-[N-(2-chloroacetyl)-S-methyl-sulfonimidoyl]-9-keto-xanthene-2-carboxylic acid methyl ester Formula: C18H14ClNO6S MolecularWeight: 407.82486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)S(=NC(=O)CCl)(=O)C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)S(=NC(=O)CCl)(=O)C

InChI

InChI=1S/C18H14ClNO6S/c1-25-18(23)10-3-5-14-12(7-10)17(22)13-8-11(4-6-15(13)26-14)27(2,24)20-16(21)9-19/h3-8H,9H2,1-2H3