5-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(2,4-dimethylphenyl)thiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-(2,4-dimethylphenyl)-2-thiazolyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-(2,4-dimethylphenyl)thiazol-2-yl]thio]methyl]-2-furoic acid Formula: C17H15NO3S2 MolecularWeight: 345.4359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CSC(=N2)SCC3=CC=C(O3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CSC(=N2)SCC3=CC=C(O3)C(=O)O)C

InChI

InChI=1S/C17H15NO3S2/c1-10-3-5-13(11(2)7-10)14-9-23-17(18-14)22-8-12-4-6-15(21-12)16(19)20/h3-7,9H,8H2,1-2H3,(H,19,20)