2-[6-methyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]sulfanylethanoic acid

Systemtic Name: 2-[6-methyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]sulfanylethanoic acid Openeye Name: 2-[6-methyl-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-pyrimidin-4-yl]sulfanylacetic acid CAS Name: 2-[[6-methyl-2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-4-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[6-methyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanylacetic acid Traditional Name: 2-[[2-[[2-keto-2-(p-tolyl)ethyl]thio]-6-methyl-pyrimidin-4-yl]thio]acetic acid Formula: C16H16N2O3S2 MolecularWeight: 348.43984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC(=CC(=N2)SCC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC(=CC(=N2)SCC(=O)O)C

InChI

InChI=1S/C16H16N2O3S2/c1-10-3-5-12(6-4-10)13(19)8-23-16-17-11(2)7-14(18-16)22-9-15(20)21/h3-7H,8-9H2,1-2H3,(H,20,21)