3,4-dimethoxyaniline; 8-thiabicyclo[2.2.2]octa-1,3,5-triene

Systemtic Name: 3,4-dimethoxyaniline; 8-thiabicyclo[2.2.2]octa-1,3,5-triene Openeye Name: 3,4-dimethoxyaniline; 8-thiabicyclo[2.2.2]octa-1,3,5-triene CAS Name: 3,4-dimethoxyaniline; 8-thiabicyclo[2.2.2]octa-1,3,5-triene IUPAC Name: 3,4-dimethoxyaniline; 8-thiabicyclo[2.2.2]octa-1,3,5-triene Traditional Name: (3,4-dimethoxyphenyl)amine; 8-thiabicyclo[2.2.2]octa-1,3,5-triene Formula: C15H17NO2S MolecularWeight: 275.36598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N)OC.C1C2=CC=C(S1)C=C2

Isomeric SMILES

COC1=C(C=C(C=C1)N)OC.C1C2=CC=C(S1)C=C2

InChI

InChI=1S/C8H11NO2.C7H6S/c1-10-7-4-3-6(9)5-8(7)11-2;1-3-7-4-2-6(1)5-8-7/h3-5H,9H2,1-2H3;1-4H,5H2