2-[2-[6-phenyl-5-(phenylcarbonyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[6-phenyl-5-(phenylcarbonyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]ethanoic acid Openeye Name: 2-[2-(5-benzoyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetic acid CAS Name: 2-[2-(5-benzoyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetic acid IUPAC Name: 2-[2-(5-benzoyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetic acid Traditional Name: 2-[2-(5-benzoyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetic acid Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(NC(=S)N2)C3=CC=CC=C3OCC(=O)O)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(NC(=S)N2)C3=CC=CC=C3OCC(=O)O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H20N2O4S/c28-20(29)15-31-19-14-8-7-13-18(19)23-21(24(30)17-11-5-2-6-12-17)22(26-25(32)27-23)16-9-3-1-4-10-16/h1-14,23H,15H2,(H,28,29)(H2,26,27,32)