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

Systemtic Name: 4-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid Openeye Name: 4-[(2-acetamidothiazol-4-yl)methylsulfanyl]benzoic acid CAS Name: 4-[(2-acetamido-4-thiazolyl)methylthio]benzoic acid IUPAC Name: 4-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid Traditional Name: 4-[(2-acetamidothiazol-4-yl)methylthio]benzoic acid Formula: C13H12N2O3S2 MolecularWeight: 308.37598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(=O)NC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H12N2O3S2/c1-8(16)14-13-15-10(7-20-13)6-19-11-4-2-9(3-5-11)12(17)18/h2-5,7H,6H2,1H3,(H,17,18)(H,14,15,16)