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

Systemtic Name: 2-[4-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl]ethanoic acid Openeye Name: 2-[4-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl]acetic acid CAS Name: 2-[4-[[5-ethoxycarbonyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl]acetic acid Traditional Name: 2-[4-[[5-carbethoxy-2-(methylthio)pyrimidin-4-yl]amino]phenyl]acetic acid Formula: C16H17N3O4S MolecularWeight: 347.38888

Click to see the large picture

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)