3-[(4-oxidanylidene-6-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(4-oxidanylidene-6-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[[4-oxo-6-(2-thienyl)-1H-pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[(4-oxo-6-thiophen-2-yl-1H-pyrimidin-2-yl)thio]methyl]benzoic acid IUPAC Name: 3-[(4-oxo-6-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[[4-keto-6-(2-thienyl)-1H-pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C16H12N2O3S2 MolecularWeight: 344.40808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC(=O)C=C(N2)C3=CC=CS3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC(=O)C=C(N2)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C16H12N2O3S2/c19-14-8-12(13-5-2-6-22-13)17-16(18-14)23-9-10-3-1-4-11(7-10)15(20)21/h1-8H,9H2,(H,20,21)(H,17,18,19)