2-azanyl-2-[[3,5-bis(chloranyl)pyridin-2-yl]oxy-sulfanyl-methyl]-3-oxidanylidene-4-phenoxy-pentanoic acid

Systemtic Name: 2-azanyl-2-[[3,5-bis(chloranyl)pyridin-2-yl]oxy-sulfanyl-methyl]-3-oxidanylidene-4-phenoxy-pentanoic acid Openeye Name: 2-amino-2-[(3,5-dichloro-2-pyridyl)oxy-sulfanyl-methyl]-3-oxo-4-phenoxy-pentanoic acid CAS Name: 2-amino-2-[(3,5-dichloro-2-pyridinyl)oxy-mercaptomethyl]-3-oxo-4-phenoxypentanoic acid IUPAC Name: 2-amino-2-[(3,5-dichloropyridin-2-yl)oxy-sulfanylmethyl]-3-oxo-4-phenoxypentanoic acid Traditional Name: 2-amino-2-[(3,5-dichloro-2-pyridyl)oxy-mercapto-methyl]-3-keto-4-phenoxy-valeric acid Formula: C17H16Cl2N2O5S MolecularWeight: 431.29034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C(OC1=C(C=C(C=N1)Cl)Cl)S)(C(=O)O)N)OC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)C(C(OC1=C(C=C(C=N1)Cl)Cl)S)(C(=O)O)N)OC2=CC=CC=C2

InChI

InChI=1S/C17H16Cl2N2O5S/c1-9(25-11-5-3-2-4-6-11)13(22)17(20,15(23)24)16(27)26-14-12(19)7-10(18)8-21-14/h2-9,16,27H,20H2,1H3,(H,23,24)