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

Systemtic Name: 4-[2-[(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 4-[2-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]ethoxy]benzoic acid IUPAC Name: 4-[2-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 4-[2-[(6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]ethoxy]benzoic acid Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)SCCOC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC1=CC(=O)N=C(N1)SCCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H16N2O4S/c1-2-11-9-13(18)17-15(16-11)22-8-7-21-12-5-3-10(4-6-12)14(19)20/h3-6,9H,2,7-8H2,1H3,(H,19,20)(H,16,17,18)