2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(5-methyl-4-phenyl-thiazol-2-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(5-methyl-4-phenyl-2-thiazolyl)methylthio]benzoic acid IUPAC Name: 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(5-methyl-4-phenyl-thiazol-2-yl)methylthio]benzoic acid Formula: C18H15NO2S2 MolecularWeight: 341.4472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)CSC2=CC=CC=C2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(N=C(S1)CSC2=CC=CC=C2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H15NO2S2/c1-12-17(13-7-3-2-4-8-13)19-16(23-12)11-22-15-10-6-5-9-14(15)18(20)21/h2-10H,11H2,1H3,(H,20,21)