(2R)-2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanyl-2-phenyl-ethanoate

Systemtic Name: (2R)-2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanyl-2-phenyl-ethanoate Openeye Name: (2R)-2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanyl-2-phenyl-acetate CAS Name: (2R)-2-[[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]thio]-2-phenylacetate IUPAC Name: (2R)-2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanyl-2-phenylacetate Traditional Name: (2R)-2-[[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]thio]-2-phenyl-acetate Formula: C19H13N2O4S- MolecularWeight: 365.38252

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC(=NC=C3)SC(C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC(=NC=C3)S[C@H](C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C19H14N2O4S/c22-18(23)17(12-4-2-1-3-5-12)26-19-20-9-8-14(21-19)13-6-7-15-16(10-13)25-11-24-15/h1-10,17H,11H2,(H,22,23)/p-1/t17-/m1/s1