butyl 2-[3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: butyl 2-[3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylethanoate Openeye Name: butyl 2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[5-[anilino(oxo)methyl]-3-cyano-6-methyl-2-pyridinyl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-2-pyridyl]thio]acetic acid butyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC(=C(C=C1C#N)C(=O)NC2=CC=CC=C2)C

Isomeric SMILES

CCCCOC(=O)CSC1=NC(=C(C=C1C#N)C(=O)NC2=CC=CC=C2)C

InChI

InChI=1S/C20H21N3O3S/c1-3-4-10-26-18(24)13-27-20-15(12-21)11-17(14(2)22-20)19(25)23-16-8-6-5-7-9-16/h5-9,11H,3-4,10,13H2,1-2H3,(H,23,25)