4-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 4-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzoic acid CAS Name: 4-[[5-ethoxycarbonyl-2-(methylthio)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-[[5-carbethoxy-2-(methylthio)pyrimidin-4-yl]amino]benzoic acid Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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