3-[[methyl(oxan-4-yl)amino]methyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[[methyl(oxan-4-yl)amino]methyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[[methyl(tetrahydropyran-4-yl)amino]methyl]benzothiophene-2-carboxylic acid CAS Name: 3-[[methyl(4-oxanyl)amino]methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[[methyl(oxan-4-yl)amino]methyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[[methyl(tetrahydropyran-4-yl)amino]methyl]benzothiophene-2-carboxylic acid Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(SC2=CC=CC=C21)C(=O)O)C3CCOCC3

Isomeric SMILES

CN(CC1=C(SC2=CC=CC=C21)C(=O)O)C3CCOCC3

InChI

InChI=1S/C16H19NO3S/c1-17(11-6-8-20-9-7-11)10-13-12-4-2-3-5-14(12)21-15(13)16(18)19/h2-5,11H,6-10H2,1H3,(H,18,19)