3-methyl-4-(thiolan-3-ylamino)benzoic acid

Systemtic Name: 3-methyl-4-(thiolan-3-ylamino)benzoic acid Openeye Name: 3-methyl-4-(tetrahydrothiophen-3-ylamino)benzoic acid CAS Name: 3-methyl-4-(3-thiolanylamino)benzoic acid IUPAC Name: 3-methyl-4-(thiolan-3-ylamino)benzoic acid Traditional Name: 3-methyl-4-(tetrahydrothiophen-3-ylamino)benzoic acid Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC2CCSC2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC2CCSC2

InChI

InChI=1S/C12H15NO2S/c1-8-6-9(12(14)15)2-3-11(8)13-10-4-5-16-7-10/h2-3,6,10,13H,4-5,7H2,1H3,(H,14,15)