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

Systemtic Name: nonyl 2-[[3-cyano-4-(furan-2-yl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate Openeye Name: nonyl 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 nonyl ester IUPAC Name: nonyl 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 nonyl ester Formula: C29H35N3O4S MolecularWeight: 521.6709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35N3O4S/c1-3-4-5-6-7-8-12-17-36-25(33)20-37-29-23(19-30)27(24-16-13-18-35-24)26(21(2)31-29)28(34)32-22-14-10-9-11-15-22/h9-11,13-16,18,27,31H,3-8,12,17,20H2,1-2H3,(H,32,34)