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

Systemtic Name: (E)-3-[[4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]prop-2-enoic acid Openeye Name: (E)-3-[(6-benzyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid CAS Name: (E)-3-[[4-oxo-6-(phenylmethyl)-1H-pyrimidin-2-yl]thio]-2-propenoic acid IUPAC Name: (E)-3-[(6-benzyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid Traditional Name: (E)-3-[(6-benzyl-4-keto-1H-pyrimidin-2-yl)thio]acrylic acid Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=O)N=C(N2)SC=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=O)N=C(N2)S/C=C/C(=O)O

InChI

InChI=1S/C14H12N2O3S/c17-12-9-11(8-10-4-2-1-3-5-10)15-14(16-12)20-7-6-13(18)19/h1-7,9H,8H2,(H,18,19)(H,15,16,17)/b7-6+