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

Systemtic Name: (E)-3-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid Openeye Name: (E)-3-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid CAS Name: (E)-3-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-2-propenoic acid IUPAC Name: (E)-3-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid Traditional Name: (E)-3-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]acrylic acid Formula: C13H10N2O3S MolecularWeight: 274.2951

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SC=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)S/C=C/C(=O)O

InChI

InChI=1S/C13H10N2O3S/c16-11-8-10(9-4-2-1-3-5-9)14-13(15-11)19-7-6-12(17)18/h1-8H,(H,17,18)(H,14,15,16)/b7-6+