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

Systemtic Name: 2-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[5-(carboxymethyl)-4-methyl-thiazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[5-(carboxymethyl)-4-methyl-2-thiazolyl]thio]methyl]benzoic acid IUPAC Name: 2-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[5-(carboxymethyl)-4-methyl-thiazol-2-yl]thio]methyl]benzoic acid Formula: C14H13NO4S2 MolecularWeight: 323.38732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC2=CC=CC=C2C(=O)O)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCC2=CC=CC=C2C(=O)O)CC(=O)O

InChI

InChI=1S/C14H13NO4S2/c1-8-11(6-12(16)17)21-14(15-8)20-7-9-4-2-3-5-10(9)13(18)19/h2-5H,6-7H2,1H3,(H,16,17)(H,18,19)