3-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzoic acid

Systemtic Name: 3-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 3-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 3-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]ethoxy]benzoic acid IUPAC Name: 3-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 3-[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]ethoxy]benzoic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCCOC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCCOC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H14N2O4S/c1-9-7-12(17)16-14(15-9)21-6-5-20-11-4-2-3-10(8-11)13(18)19/h2-4,7-8H,5-6H2,1H3,(H,18,19)(H,15,16,17)