3-methyl-4-(thiophen-3-ylmethylamino)benzoic acid

Systemtic Name: 3-methyl-4-(thiophen-3-ylmethylamino)benzoic acid Openeye Name: 3-methyl-4-(3-thienylmethylamino)benzoic acid CAS Name: 3-methyl-4-(3-thiophenylmethylamino)benzoic acid IUPAC Name: 3-methyl-4-(thiophen-3-ylmethylamino)benzoic acid Traditional Name: 3-methyl-4-(3-thenylamino)benzoic acid Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NCC2=CSC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NCC2=CSC=C2

InChI

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