2-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]thiazole-4-carboxylic acid CAS Name: 2-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]thiazole-4-carboxylic acid Formula: C13H10N2O3S2 MolecularWeight: 306.3601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=N2)SCC3=NC(=CS3)C(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)OC(=N2)SCC3=NC(=CS3)C(=O)O

InChI

InChI=1S/C13H10N2O3S2/c1-7-3-2-4-9-11(7)15-13(18-9)20-6-10-14-8(5-19-10)12(16)17/h2-5H,6H2,1H3,(H,16,17)