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

Systemtic Name: tert-butyl 2-[3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylethanoate Openeye Name: tert-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 tert-butyl ester IUPAC Name: tert-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 tert-butyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)OC(C)(C)C)C#N)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)OC(C)(C)C)C#N)C(=O)NC2=CC=CC=C2

InChI

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