2-[4-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl]ethanoate

Systemtic Name: 2-[4-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl]ethanoate Openeye Name: 2-[4-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl]acetate CAS Name: 2-[4-[[5-ethoxycarbonyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl]acetate IUPAC Name: 2-[4-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl]acetate Traditional Name: 2-[4-[[5-carbethoxy-2-(methylthio)pyrimidin-4-yl]amino]phenyl]acetate Formula: C16H16N3O4S- MolecularWeight: 346.38094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4S/c1-3-23-15(22)12-9-17-16(24-2)19-14(12)18-11-6-4-10(5-7-11)8-13(20)21/h4-7,9H,3,8H2,1-2H3,(H,20,21)(H,17,18,19)/p-1