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

Systemtic Name: 5-[2-(5-carboxythiophen-2-yl)-6-methylsulfanyl-pyrimidin-4-yl]thiophene-2-carboxylic acid Openeye Name: 5-[2-(5-carboxy-2-thienyl)-6-methylsulfanyl-pyrimidin-4-yl]thiophene-2-carboxylic acid CAS Name: 5-[2-(5-carboxy-2-thiophenyl)-6-(methylthio)-4-pyrimidinyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[2-(5-carboxythiophen-2-yl)-6-methylsulfanylpyrimidin-4-yl]thiophene-2-carboxylic acid Traditional Name: 5-[2-(5-carboxy-2-thienyl)-6-(methylthio)pyrimidin-4-yl]-2-thenoic acid Formula: C15H10N2O4S3 MolecularWeight: 378.4459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10N2O4S3/c1-22-12-6-7(8-2-4-10(23-8)14(18)19)16-13(17-12)9-3-5-11(24-9)15(20)21/h2-6H,1H3,(H,18,19)(H,20,21)