4-(thian-4-ylamino)benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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