methyl 2-[[3-cyano-4-(furan-2-yl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[3-cyano-4-(furan-2-yl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[3-cyano-4-(2-furyl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[anilino(oxo)methyl]-3-cyano-4-(2-furanyl)-6-methyl-1,4-dihydropyridin-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[3-cyano-4-(furan-2-yl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate Traditional Name: 2-[[3-cyano-4-(2-furyl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]thio]acetic acid methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)OC)C#N)C2=CC=CO2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)OC)C#N)C2=CC=CO2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O4S/c1-13-18(20(26)24-14-7-4-3-5-8-14)19(16-9-6-10-28-16)15(11-22)21(23-13)29-12-17(25)27-2/h3-10,19,23H,12H2,1-2H3,(H,24,26)