5-[6-(5-carboxythiophen-2-yl)-4-methylsulfanyl-pyridin-2-yl]thiophene-2-carboxylic acid

Systemtic Name: 5-[6-(5-carboxythiophen-2-yl)-4-methylsulfanyl-pyridin-2-yl]thiophene-2-carboxylic acid Openeye Name: 5-[6-(5-carboxy-2-thienyl)-4-methylsulfanyl-2-pyridyl]thiophene-2-carboxylic acid CAS Name: 5-[6-(5-carboxy-2-thiophenyl)-4-(methylthio)-2-pyridinyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[6-(5-carboxythiophen-2-yl)-4-methylsulfanylpyridin-2-yl]thiophene-2-carboxylic acid Traditional Name: 5-[6-(5-carboxy-2-thienyl)-4-(methylthio)-2-pyridyl]-2-thenoic acid Formula: C16H11NO4S3 MolecularWeight: 377.45784

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=NC(=C1)C2=CC=C(S2)C(=O)O)C3=CC=C(S3)C(=O)O

Isomeric SMILES

CSC1=CC(=NC(=C1)C2=CC=C(S2)C(=O)O)C3=CC=C(S3)C(=O)O

InChI

InChI=1S/C16H11NO4S3/c1-22-8-6-9(11-2-4-13(23-11)15(18)19)17-10(7-8)12-3-5-14(24-12)16(20)21/h2-7H,1H3,(H,18,19)(H,20,21)