4-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid Openeye Name: 4-[(2-propylthiazol-4-yl)methylsulfanyl]benzoic acid CAS Name: 4-[(2-propyl-4-thiazolyl)methylthio]benzoic acid IUPAC Name: 4-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid Traditional Name: 4-[(2-propylthiazol-4-yl)methylthio]benzoic acid Formula: C14H15NO2S2 MolecularWeight: 293.4044

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H15NO2S2/c1-2-3-13-15-11(9-19-13)8-18-12-6-4-10(5-7-12)14(16)17/h4-7,9H,2-3,8H2,1H3,(H,16,17)