3-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[2-hydroxy-3-(isopropylamino)propoxy]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid CAS Name: 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[2-hydroxy-3-(isopropylamino)propoxy]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid Formula: C15H23NO4S MolecularWeight: 313.41242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=C(SC2=C1CCCC2)C(=O)O)O

Isomeric SMILES

CC(C)NCC(COC1=C(SC2=C1CCCC2)C(=O)O)O

InChI

InChI=1S/C15H23NO4S/c1-9(2)16-7-10(17)8-20-13-11-5-3-4-6-12(11)21-14(13)15(18)19/h9-10,16-17H,3-8H2,1-2H3,(H,18,19)