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

Systemtic Name: ethyl 2-[[3-cyano-4-(furan-2-yl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CO3)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CO3)C#N

InChI

InChI=1S/C22H21N3O4S/c1-3-28-18(26)13-30-22-16(12-23)20(17-10-7-11-29-17)19(14(2)24-22)21(27)25-15-8-5-4-6-9-15/h4-11,20,24H,3,13H2,1-2H3,(H,25,27)