methyl 3-[[3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 3-[[3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-2-pyridyl]sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[[5-[anilino(oxo)methyl]-3-cyano-6-methyl-2-pyridinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[[3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[[3-cyano-6-methyl-5-(phenylcarbamoyl)-2-pyridyl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC2=C(OC=C2)C(=O)OC)C#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC2=C(OC=C2)C(=O)OC)C#N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H17N3O4S/c1-13-17(19(25)24-16-6-4-3-5-7-16)10-15(11-22)20(23-13)29-12-14-8-9-28-18(14)21(26)27-2/h3-10H,12H2,1-2H3,(H,24,25)