ethyl 2-[[(4R)-3-cyano-5-ethanoyl-6-methyl-4-(2-methylpropyl)-3,4-dihydropyridin-2-yl]sulfanylmethyl]-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-[[(4R)-3-cyano-5-ethanoyl-6-methyl-4-(2-methylpropyl)-3,4-dihydropyridin-2-yl]sulfanylmethyl]-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-[[(4R)-5-acetyl-3-cyano-4-isobutyl-6-methyl-3,4-dihydropyridin-2-yl]sulfanylmethyl]-5-hydroxy-benzofuran-3-carboxylate CAS Name: 2-[[[(4R)-5-acetyl-3-cyano-6-methyl-4-(2-methylpropyl)-3,4-dihydropyridin-2-yl]thio]methyl]-5-hydroxy-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4R)-5-acetyl-3-cyano-6-methyl-4-(2-methylpropyl)-3,4-dihydropyridin-2-yl]sulfanylmethyl]-5-hydroxy-1-benzofuran-3-carboxylate Traditional Name: 2-[[[(4R)-5-acetyl-3-cyano-4-isobutyl-6-methyl-3,4-dihydropyridin-2-yl]thio]methyl]-5-hydroxy-benzofuran-3-carboxylic acid ethyl ester Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)CSC3=NC(=C(C(C3C#N)CC(C)C)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)CSC3=NC(=C([C@@H](C3C#N)CC(C)C)C(=O)C)C

InChI

InChI=1S/C25H28N2O5S/c1-6-31-25(30)23-18-10-16(29)7-8-20(18)32-21(23)12-33-24-19(11-26)17(9-13(2)3)22(15(5)28)14(4)27-24/h7-8,10,13,17,19,29H,6,9,12H2,1-5H3/t17-,19?/m1/s1