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

Systemtic Name: 4-[2-[(4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 4-[2-[(6-isopropyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)thio]ethoxy]benzoic acid IUPAC Name: 4-[2-[(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 4-[2-[(6-isopropyl-4-keto-1H-pyrimidin-2-yl)thio]ethoxy]benzoic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S/c1-10(2)13-9-14(19)18-16(17-13)23-8-7-22-12-5-3-11(4-6-12)15(20)21/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)(H,17,18,19)