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

Systemtic Name: 2-[[3-cyano-4-(furan-2-yl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[3-cyano-4-(2-furyl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[anilino(oxo)methyl]-3-cyano-4-(2-furanyl)-6-methyl-1,4-dihydropyridin-2-yl]thio]acetic acid IUPAC Name: 2-[[3-cyano-4-(furan-2-yl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[3-cyano-4-(2-furyl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]thio]acetic acid Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4S/c1-12-17(19(26)23-13-6-3-2-4-7-13)18(15-8-5-9-27-15)14(10-21)20(22-12)28-11-16(24)25/h2-9,18,22H,11H2,1H3,(H,23,26)(H,24,25)