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

Systemtic Name: 2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(2-propylthiazol-4-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(2-propyl-4-thiazolyl)methylthio]benzoic acid IUPAC Name: 2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(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=CC=C2C(=O)O

Isomeric SMILES

CCCC1=NC(=CS1)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H15NO2S2/c1-2-5-13-15-10(9-19-13)8-18-12-7-4-3-6-11(12)14(16)17/h3-4,6-7,9H,2,5,8H2,1H3,(H,16,17)