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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=NC=C1C2=CC=C(C=C2)CC(=O)O)Cl

Isomeric SMILES

COC(=O)CSC1=NC(=NC=C1C2=CC=C(C=C2)CC(=O)O)Cl

InChI

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