2-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-[4-(1,3-benzoxazol-2-yl)piperidino]-2-keto-ethyl]thio]benzoic acid Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)CSC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)CSC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H20N2O4S/c24-19(13-28-18-8-4-1-5-15(18)21(25)26)23-11-9-14(10-12-23)20-22-16-6-2-3-7-17(16)27-20/h1-8,14H,9-13H2,(H,25,26)