2-[2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]acetyl]amino]acetic acid CAS Name: 2-[[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetyl]amino]acetic acid Traditional Name: 2-[[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]acetyl]amino]acetic acid Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NCC(=O)O

InChI

InChI=1S/C17H15N3O4S/c1-24-13-5-2-11(3-6-13)14-7-4-12(8-18)17(20-14)25-10-15(21)19-9-16(22)23/h2-7H,9-10H2,1H3,(H,19,21)(H,22,23)