4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxylic acid

Systemtic Name: 4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 5-methylsulfanyl-4-[4-(p-tolyl)thiazol-2-yl]thiophene-2-carboxylic acid CAS Name: 4-[4-(4-methylphenyl)-2-thiazolyl]-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 5-(methylthio)-4-[4-(p-tolyl)thiazol-2-yl]-2-thenoic acid Formula: C16H13NO2S3 MolecularWeight: 347.47492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)C3=C(SC(=C3)C(=O)O)SC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)C3=C(SC(=C3)C(=O)O)SC

InChI

InChI=1S/C16H13NO2S3/c1-9-3-5-10(6-4-9)12-8-21-14(17-12)11-7-13(15(18)19)22-16(11)20-2/h3-8H,1-2H3,(H,18,19)