2-(2-cyclohexyl-5-methoxycarbonyl-4-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)ethanoic acid

Systemtic Name: 2-(2-cyclohexyl-5-methoxycarbonyl-4-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)ethanoic acid Openeye Name: 2-(2-cyclohexyl-5-methoxycarbonyl-4-methylsulfanyl-6-oxo-pyrimidin-1-yl)acetic acid CAS Name: 2-[2-cyclohexyl-5-methoxycarbonyl-4-(methylthio)-6-oxo-1-pyrimidinyl]acetic acid IUPAC Name: 2-(2-cyclohexyl-5-methoxycarbonyl-4-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid Traditional Name: 2-[5-carbomethoxy-2-cyclohexyl-6-keto-4-(methylthio)pyrimidin-1-yl]acetic acid Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(N(C1=O)CC(=O)O)C2CCCCC2)SC

Isomeric SMILES

COC(=O)C1=C(N=C(N(C1=O)CC(=O)O)C2CCCCC2)SC

InChI

InChI=1S/C15H20N2O5S/c1-22-15(21)11-13(23-2)16-12(9-6-4-3-5-7-9)17(14(11)20)8-10(18)19/h9H,3-8H2,1-2H3,(H,18,19)