methyl (2R)-2-[2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanylethanoylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2R)-2-[2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanylethanoylamino]-2-phenyl-ethanoate Openeye Name: methyl (2R)-2-[[2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]sulfanyl]acetyl]amino]-2-phenyl-acetate CAS Name: (2R)-2-[[2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]thio]-1-oxoethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanylacetyl]amino]-2-phenylacetate Traditional Name: (2R)-2-[[2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]thio]acetyl]amino]-2-phenyl-acetic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC(C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)N[C@H](C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H21N3O4S/c1-13-9-15(11-26-2)16(10-21)19(22-13)28-12-17(24)23-18(20(25)27-3)14-7-5-4-6-8-14/h4-9,18H,11-12H2,1-3H3,(H,23,24)/t18-/m1/s1