3-[(5-methylthiophen-2-yl)methylamino]benzoic acid

Systemtic Name: 3-[(5-methylthiophen-2-yl)methylamino]benzoic acid Openeye Name: 3-[(5-methyl-2-thienyl)methylamino]benzoic acid CAS Name: 3-[(5-methyl-2-thiophenyl)methylamino]benzoic acid IUPAC Name: 3-[(5-methylthiophen-2-yl)methylamino]benzoic acid Traditional Name: 3-[(5-methyl-2-thienyl)methylamino]benzoic acid Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CNC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)CNC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H13NO2S/c1-9-5-6-12(17-9)8-14-11-4-2-3-10(7-11)13(15)16/h2-7,14H,8H2,1H3,(H,15,16)