3-(thian-4-ylamino)benzoic acid

Systemtic Name: 3-(thian-4-ylamino)benzoic acid Openeye Name: 3-(tetrahydrothiopyran-4-ylamino)benzoic acid CAS Name: 3-(4-thianylamino)benzoic acid IUPAC Name: 3-(thian-4-ylamino)benzoic acid Traditional Name: 3-(tetrahydrothiopyran-4-ylamino)benzoic acid Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CSCCC1NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C12H15NO2S/c14-12(15)9-2-1-3-11(8-9)13-10-4-6-16-7-5-10/h1-3,8,10,13H,4-7H2,(H,14,15)