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3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-1-benzothiophene-2-carboxylic acid

3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-1-benzothiophene-2-carboxylic acid

Systemtic Name:3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-1-benzothiophene-2-carboxylic acid
Openeye Name:3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propoxy]benzothiophene-2-carboxylic acid
CAS Name:3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1-benzothiophene-2-carboxylic acid
IUPAC Name:3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1-benzothiophene-2-carboxylic acid
Traditional Name:3-[3-(homoveratrylamino)-2-hydroxy-propoxy]benzothiophene-2-carboxylic acid
Formula: C22H25NO6S
MolecularWeight: 431.502
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(COC2=C(SC3=CC=CC=C32)C(=O)O)O)OC


Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(COC2=C(SC3=CC=CC=C32)C(=O)O)O)OC


InChI

InChI=1S/C22H25NO6S/c1-27-17-8-7-14(11-18(17)28-2)9-10-23-12-15(24)13-29-20-16-5-3-4-6-19(16)30-21(20)22(25)26/h3-8,11,15,23-24H,9-10,12-13H2,1-2H3,(H,25,26)


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