5-chloranyl-3$l^{6}-thia-2-azabicyclo[2.2.2]octa-1(6),4,7-triene 3,3-dioxide; 5-[(Z)-N-methoxy-C-methyl-carbonimidoyl]-2,3-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-chloranyl-3$l^{6}-thia-2-azabicyclo[2.2.2]octa-1(6),4,7-triene 3,3-dioxide; 5-[(Z)-N-methoxy-C-methyl-carbonimidoyl]-2,3-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: 5-chloro-3$l^{6}-thia-2-azabicyclo[2.2.2]octa-1(6),4,7-triene 3,3-dioxide; 5-[(Z)-N-methoxy-C-methyl-carbonimidoyl]-2,3-dihydrobenzofuran-2-carboxylic acid CAS Name: 5-chloro-3$l^{6}-thia-2-azabicyclo[2.2.2]octa-1(6),4,7-triene 3,3-dioxide; 5-[(1Z)-1-methoxyiminoethyl]-2,3-dihydrobenzofuran-2-carboxylic acid IUPAC Name: 5-chloro-3$l^{6}-thia-2-azabicyclo[2.2.2]octa-1(6),4,7-triene 3,3-dioxide; 5-[(Z)-N-methoxy-C-methylcarbonimidoyl]-2,3-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: 5-chloro-3$l^{6}-thia-2-azabicyclo[2.2.2]octa-1(6),4,7-triene 3,3-dioxide; 5-[(Z)-N-methoxy-C-methyl-carbonimidoyl]coumaran-2-carboxylic acid Formula: C18H17ClN2O6S MolecularWeight: 424.85538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC)C1=CC2=C(C=C1)OC(C2)C(=O)O.C1=CC2=C(C=C1NS2(=O)=O)Cl

Isomeric SMILES

C/C(=N/OC)/C1=CC2=C(C=C1)OC(C2)C(=O)O.C1=CC2=C(C=C1NS2(=O)=O)Cl

InChI

InChI=1S/C12H13NO4.C6H4ClNO2S/c1-7(13-16-2)8-3-4-10-9(5-8)6-11(17-10)12(14)15;7-5-3-4-1-2-6(5)11(9,10)8-4/h3-5,11H,6H2,1-2H3,(H,14,15);1-3,8H/b13-7-;