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

Systemtic Name: 2-azanyl-3-[3-[(5-ethoxycarbonyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]propanoic acid Openeye Name: 2-amino-3-[3-[(5-ethoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]propanoic acid CAS Name: 2-amino-3-[3-[[(5-ethoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)thio]methyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-[(5-ethoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]propanoic acid Traditional Name: 2-amino-3-[3-[[(5-carbethoxy-6-keto-1H-pyrimidin-2-yl)thio]methyl]phenyl]propionic acid Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(NC1=O)SCC2=CC=CC(=C2)CC(C(=O)O)N

Isomeric SMILES

CCOC(=O)C1=CN=C(NC1=O)SCC2=CC=CC(=C2)CC(C(=O)O)N

InChI

InChI=1S/C17H19N3O5S/c1-2-25-16(24)12-8-19-17(20-14(12)21)26-9-11-5-3-4-10(6-11)7-13(18)15(22)23/h3-6,8,13H,2,7,9,18H2,1H3,(H,22,23)(H,19,20,21)