(E)-3-[4-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]phenyl]acrylic acid Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)/C=C/C(=O)O

InChI

InChI=1S/C20H16N2O3S/c23-18-12-17(16-4-2-1-3-5-16)21-20(22-18)26-13-15-8-6-14(7-9-15)10-11-19(24)25/h1-12H,13H2,(H,24,25)(H,21,22,23)/b11-10+