4-[[methyl(thiolan-3-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[methyl(thiolan-3-yl)amino]methyl]benzoic acid Openeye Name: 4-[[methyl(tetrahydrothiophen-3-yl)amino]methyl]benzoic acid CAS Name: 4-[[methyl(3-thiolanyl)amino]methyl]benzoic acid IUPAC Name: 4-[[methyl(thiolan-3-yl)amino]methyl]benzoic acid Traditional Name: 4-[[methyl(tetrahydrothiophen-3-yl)amino]methyl]benzoic acid Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)O)C2CCSC2

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)O)C2CCSC2

InChI

InChI=1S/C13H17NO2S/c1-14(12-6-7-17-9-12)8-10-2-4-11(5-3-10)13(15)16/h2-5,12H,6-9H2,1H3,(H,15,16)