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

Systemtic Name: 2-[[4-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[[5-ethoxycarbonyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)amino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[[5-carbethoxy-2-(methylthio)pyrimidin-4-yl]amino]benzoyl]amino]acetic acid Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O5S/c1-3-26-16(25)12-8-19-17(27-2)21-14(12)20-11-6-4-10(5-7-11)15(24)18-9-13(22)23/h4-8H,3,9H2,1-2H3,(H,18,24)(H,22,23)(H,19,20,21)