4-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]benzoic acid

Systemtic Name: 4-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]benzoic acid Openeye Name: 4-[4-(2,5-dimethyl-3-thienyl)thiazol-2-yl]benzoic acid CAS Name: 4-[4-(2,5-dimethyl-3-thiophenyl)-2-thiazolyl]benzoic acid IUPAC Name: 4-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]benzoic acid Traditional Name: 4-[4-(2,5-dimethyl-3-thienyl)thiazol-2-yl]benzoic acid Formula: C16H13NO2S2 MolecularWeight: 315.40992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=CSC(=N2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(S1)C)C2=CSC(=N2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H13NO2S2/c1-9-7-13(10(2)21-9)14-8-20-15(17-14)11-3-5-12(6-4-11)16(18)19/h3-8H,1-2H3,(H,18,19)