2-(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)sulfanylbenzoic acid

Systemtic Name: 2-(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)sulfanylbenzoic acid Openeye Name: 2-(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)sulfanylbenzoic acid CAS Name: 2-[[5-ethoxycarbonyl-2-(methylthio)-4-pyrimidinyl]thio]benzoic acid IUPAC Name: 2-(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)sulfanylbenzoic acid Traditional Name: 2-[[5-carbethoxy-2-(methylthio)pyrimidin-4-yl]thio]benzoic acid Formula: C15H14N2O4S2 MolecularWeight: 350.41266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1SC2=CC=CC=C2C(=O)O)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1SC2=CC=CC=C2C(=O)O)SC

InChI

InChI=1S/C15H14N2O4S2/c1-3-21-14(20)10-8-16-15(22-2)17-12(10)23-11-7-5-4-6-9(11)13(18)19/h4-8H,3H2,1-2H3,(H,18,19)