(phenylmethyl) 2-[[3-cyano-5-ethanoyl-6-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[[3-cyano-5-ethanoyl-6-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[5-acetyl-3-cyano-6-methyl-4-(5-methyl-2-furyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate CAS Name: 2-[[5-acetyl-3-cyano-6-methyl-4-(5-methyl-2-furanyl)-1,4-dihydropyridin-2-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-acetyl-3-cyano-6-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-acetyl-3-cyano-6-methyl-4-(5-methyl-2-furyl)-1,4-dihydropyridin-2-yl]thio]acetic acid benzyl ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2C(=C(NC(=C2C(=O)C)C)SCC(=O)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(O1)C2C(=C(NC(=C2C(=O)C)C)SCC(=O)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C23H22N2O4S/c1-14-9-10-19(29-14)22-18(11-24)23(25-15(2)21(22)16(3)26)30-13-20(27)28-12-17-7-5-4-6-8-17/h4-10,22,25H,12-13H2,1-3H3