2-azanyl-3-[6-[(5-ethoxycarbonyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]pyridin-2-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[6-[(5-ethoxycarbonyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]pyridin-2-yl]propanoic acid Openeye Name: 2-amino-3-[6-[(5-ethoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-2-pyridyl]propanoic acid CAS Name: 2-amino-3-[6-[[(5-ethoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)thio]methyl]-2-pyridinyl]propanoic acid IUPAC Name: 2-amino-3-[6-[(5-ethoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]pyridin-2-yl]propanoic acid Traditional Name: 2-amino-3-[6-[[(5-carbethoxy-6-keto-1H-pyrimidin-2-yl)thio]methyl]-2-pyridyl]propionic acid Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(NC1=O)SCC2=CC=CC(=N2)CC(C(=O)O)N

Isomeric SMILES

CCOC(=O)C1=CN=C(NC1=O)SCC2=CC=CC(=N2)CC(C(=O)O)N

InChI

InChI=1S/C16H18N4O5S/c1-2-25-15(24)11-7-18-16(20-13(11)21)26-8-10-5-3-4-9(19-10)6-12(17)14(22)23/h3-5,7,12H,2,6,8,17H2,1H3,(H,22,23)(H,18,20,21)