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

Systemtic Name: 4-[2-[(6-tert-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 4-[2-[(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)thio]ethoxy]benzoic acid IUPAC Name: 4-[2-[(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 4-[2-[(6-tert-butyl-4-keto-1H-pyrimidin-2-yl)thio]ethoxy]benzoic acid Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N=C(N1)SCCOC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=O)N=C(N1)SCCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H20N2O4S/c1-17(2,3)13-10-14(20)19-16(18-13)24-9-8-23-12-6-4-11(5-7-12)15(21)22/h4-7,10H,8-9H2,1-3H3,(H,21,22)(H,18,19,20)