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

Systemtic Name: 2-[(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 2-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 2-[[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]benzoic acid IUPAC Name: 2-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 2-[[(6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]methyl]benzoic acid Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)SCC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCC1=CC(=O)N=C(N1)SCC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H14N2O3S/c1-2-10-7-12(17)16-14(15-10)20-8-9-5-3-4-6-11(9)13(18)19/h3-7H,2,8H2,1H3,(H,18,19)(H,15,16,17)