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

Systemtic Name: 4-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]-2-oxidanyl-benzoate Openeye Name: 4-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]-2-hydroxy-benzoate CAS Name: 4-[[5-ethoxycarbonyl-2-(methylthio)-4-pyrimidinyl]amino]-2-hydroxybenzoate IUPAC Name: 4-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-hydroxybenzoate Traditional Name: 4-[[5-carbethoxy-2-(methylthio)pyrimidin-4-yl]amino]-2-hydroxy-benzoate Formula: C15H14N3O5S- MolecularWeight: 348.35376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O5S/c1-3-23-14(22)10-7-16-15(24-2)18-12(10)17-8-4-5-9(13(20)21)11(19)6-8/h4-7,19H,3H2,1-2H3,(H,20,21)(H,16,17,18)/p-1