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

Systemtic Name: 2-methyl-3-(thiolan-3-ylamino)benzoic acid Openeye Name: 2-methyl-3-(tetrahydrothiophen-3-ylamino)benzoic acid CAS Name: 2-methyl-3-(3-thiolanylamino)benzoic acid IUPAC Name: 2-methyl-3-(thiolan-3-ylamino)benzoic acid Traditional Name: 2-methyl-3-(tetrahydrothiophen-3-ylamino)benzoic acid Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC2CCSC2)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC2CCSC2)C(=O)O

InChI

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