3-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzoate

Systemtic Name: 3-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzoate Openeye Name: 3-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzoate CAS Name: 3-[[5-ethoxycarbonyl-2-(methylthio)-4-pyrimidinyl]amino]benzoate IUPAC Name: 3-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)amino]benzoate Traditional Name: 3-[[5-carbethoxy-2-(methylthio)pyrimidin-4-yl]amino]benzoate Formula: C15H14N3O4S- MolecularWeight: 332.35436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC(=C2)C(=O)[O-])SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC(=C2)C(=O)[O-])SC

InChI

InChI=1S/C15H15N3O4S/c1-3-22-14(21)11-8-16-15(23-2)18-12(11)17-10-6-4-5-9(7-10)13(19)20/h4-8H,3H2,1-2H3,(H,19,20)(H,16,17,18)/p-1