methyl 3-[3-(tert-butylamino)-2-oxidanyl-propoxy]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[3-(tert-butylamino)-2-oxidanyl-propoxy]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[3-(tert-butylamino)-2-hydroxy-propoxy]benzothiophene-2-carboxylate CAS Name: 3-[3-(tert-butylamino)-2-hydroxypropoxy]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(tert-butylamino)-2-hydroxypropoxy]-1-benzothiophene-2-carboxylate Traditional Name: 3-[3-(tert-butylamino)-2-hydroxy-propoxy]benzothiophene-2-carboxylic acid methyl ester Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO4S/c1-17(2,3)18-9-11(19)10-22-14-12-7-5-6-8-13(12)23-15(14)16(20)21-4/h5-8,11,18-19H,9-10H2,1-4H3