methyl 2-[2-(5-chloranyl-3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[2-(5-chloranyl-3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]-2-phenyl-ethanoate Openeye Name: methyl 2-[[2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]amino]-2-phenyl-acetate CAS Name: 2-[[2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[[2-(5-chloro-3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]amino]-2-phenylacetate Traditional Name: 2-[[2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]amino]-2-phenyl-acetic acid methyl ester Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1Cl)C)SCC(=O)NC(C2=CC=CC=C2)C(=O)OC)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1Cl)C)SCC(=O)NC(C2=CC=CC=C2)C(=O)OC)C#N

InChI

InChI=1S/C19H18ClN3O3S/c1-11-14(9-21)18(22-12(2)16(11)20)27-10-15(24)23-17(19(25)26-3)13-7-5-4-6-8-13/h4-8,17H,10H2,1-3H3,(H,23,24)