N-[(2-ethoxypyridin-3-yl)methyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: N-[(2-ethoxypyridin-3-yl)methyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: N-[(2-ethoxy-3-pyridyl)methyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: N-[(2-ethoxy-3-pyridinyl)methyl]-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: N-[(2-ethoxypyridin-3-yl)methyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: N-[(2-ethoxy-3-pyridyl)methyl]-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)CNC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C=CC=N1)CNC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O4S/c1-3-27-21-16(8-7-12-22-21)14-23-20(26)18(11-13-29-2)24-19(25)15-28-17-9-5-4-6-10-17/h4-10,12,18H,3,11,13-15H2,1-2H3,(H,23,26)(H,24,25)