5-chloranyl-3$l^{6}-thia-2-azabicyclo[2.2.2]octa-1(6),4,7-triene 3,3-dioxide; ethyl 5-(1-oxidanylpropyl)-2,3-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: 5-chloranyl-3$l^{6}-thia-2-azabicyclo[2.2.2]octa-1(6),4,7-triene 3,3-dioxide; ethyl 5-(1-oxidanylpropyl)-2,3-dihydro-1-benzofuran-2-carboxylate Openeye Name: 5-chloro-3$l^{6}-thia-2-azabicyclo[2.2.2]octa-1(6),4,7-triene 3,3-dioxide; ethyl 5-(1-hydroxypropyl)-2,3-dihydrobenzofuran-2-carboxylate CAS Name: 5-chloro-3$l^{6}-thia-2-azabicyclo[2.2.2]octa-1(6),4,7-triene 3,3-dioxide; 5-(1-hydroxypropyl)-2,3-dihydrobenzofuran-2-carboxylic acid ethyl ester IUPAC Name: 5-chloro-3$l^{6}-thia-2-azabicyclo[2.2.2]octa-1(6),4,7-triene 3,3-dioxide; ethyl 5-(1-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3$l^{6}-thia-2-azabicyclo[2.2.2]octa-1(6),4,7-triene 3,3-dioxide; 5-(1-hydroxypropyl)coumaran-2-carboxylic acid ethyl ester Formula: C20H22ClNO6S MolecularWeight: 439.90978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OC(C2)C(=O)OCC)O.C1=CC2=C(C=C1NS2(=O)=O)Cl

Isomeric SMILES

CCC(C1=CC2=C(C=C1)OC(C2)C(=O)OCC)O.C1=CC2=C(C=C1NS2(=O)=O)Cl

InChI

InChI=1S/C14H18O4.C6H4ClNO2S/c1-3-11(15)9-5-6-12-10(7-9)8-13(18-12)14(16)17-4-2;7-5-3-4-1-2-6(5)11(9,10)8-4/h5-7,11,13,15H,3-4,8H2,1-2H3;1-3,8H