3-[3-(tert-butylamino)-2-oxidanyl-propoxy]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[3-(tert-butylamino)-2-oxidanyl-propoxy]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[3-(tert-butylamino)-2-hydroxy-propoxy]benzothiophene-2-carboxylic acid CAS Name: 3-[3-(tert-butylamino)-2-hydroxypropoxy]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[3-(tert-butylamino)-2-hydroxypropoxy]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[3-(tert-butylamino)-2-hydroxy-propoxy]benzothiophene-2-carboxylic acid Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=C(SC2=CC=CC=C21)C(=O)O)O

Isomeric SMILES

CC(C)(C)NCC(COC1=C(SC2=CC=CC=C21)C(=O)O)O

InChI

InChI=1S/C16H21NO4S/c1-16(2,3)17-8-10(18)9-21-13-11-6-4-5-7-12(11)22-14(13)15(19)20/h4-7,10,17-18H,8-9H2,1-3H3,(H,19,20)