2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-2-yl-ethanol; ethanedioic acid

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-2-yl-ethanol; ethanedioic acid Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2-thienyl)ethanol; oxalic acid CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-2-ylethanol; oxalic acid IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-2-ylethanol; oxalic acid Traditional Name: 2-(homoveratrylamino)-1-(2-thienyl)ethanol; oxalic acid Formula: C18H23NO7S MolecularWeight: 397.44272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(C2=CC=CS2)O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(C2=CC=CS2)O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H21NO3S.C2H2O4/c1-19-14-6-5-12(10-15(14)20-2)7-8-17-11-13(18)16-4-3-9-21-16;3-1(4)2(5)6/h3-6,9-10,13,17-18H,7-8,11H2,1-2H3;(H,3,4)(H,5,6)