2-[6-(carboxymethylsulfanyl)-5-(2-chlorophenyl)pyrimidin-4-yl]sulfanylethanoic acid

Systemtic Name: 2-[6-(carboxymethylsulfanyl)-5-(2-chlorophenyl)pyrimidin-4-yl]sulfanylethanoic acid Openeye Name: 2-[6-(carboxymethylsulfanyl)-5-(2-chlorophenyl)pyrimidin-4-yl]sulfanylacetic acid CAS Name: 2-[[6-(carboxymethylthio)-5-(2-chlorophenyl)-4-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[6-(carboxymethylsulfanyl)-5-(2-chlorophenyl)pyrimidin-4-yl]sulfanylacetic acid Traditional Name: 2-[[6-(carboxymethylthio)-5-(2-chlorophenyl)pyrimidin-4-yl]thio]acetic acid Formula: C14H11ClN2O4S2 MolecularWeight: 370.83114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(N=CN=C2SCC(=O)O)SCC(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(N=CN=C2SCC(=O)O)SCC(=O)O)Cl

InChI

InChI=1S/C14H11ClN2O4S2/c15-9-4-2-1-3-8(9)12-13(22-5-10(18)19)16-7-17-14(12)23-6-11(20)21/h1-4,7H,5-6H2,(H,18,19)(H,20,21)