2-[2-chloranyl-4-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-pyrimidin-5-yl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[2-chloranyl-4-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-pyrimidin-5-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[2-chloro-4-(2-methoxy-2-oxo-ethyl)sulfanyl-pyrimidin-5-yl]-2-phenyl-acetic acid CAS Name: 2-[2-chloro-4-[(2-methoxy-2-oxoethyl)thio]-5-pyrimidinyl]-2-phenylacetic acid IUPAC Name: 2-[2-chloro-4-(2-methoxy-2-oxoethyl)sulfanylpyrimidin-5-yl]-2-phenylacetic acid Traditional Name: 2-[2-chloro-4-[(2-keto-2-methoxy-ethyl)thio]pyrimidin-5-yl]-2-phenyl-acetic acid Formula: C15H13ClN2O4S MolecularWeight: 352.79272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=NC=C1C(C2=CC=CC=C2)C(=O)O)Cl

Isomeric SMILES

COC(=O)CSC1=NC(=NC=C1C(C2=CC=CC=C2)C(=O)O)Cl

InChI

InChI=1S/C15H13ClN2O4S/c1-22-11(19)8-23-13-10(7-17-15(16)18-13)12(14(20)21)9-5-3-2-4-6-9/h2-7,12H,8H2,1H3,(H,20,21)