prop-2-enyl (4S)-5-cyano-6-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl (4S)-5-cyano-6-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4S)-5-cyano-6-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-4-(2-furyl)-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-6-[[2-(diethylamino)-2-oxoethyl]thio]-4-(2-furanyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-5-cyano-6-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-6-[[2-(diethylamino)-2-keto-ethyl]thio]-4-(2-furyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC=CO2)C#N

Isomeric SMILES

CCN(CC)C(=O)CSC1=C([C@H](C(=C(N1)C)C(=O)OCC=C)C2=CC=CO2)C#N

InChI

InChI=1S/C21H25N3O4S/c1-5-10-28-21(26)18-14(4)23-20(29-13-17(25)24(6-2)7-3)15(12-22)19(18)16-9-8-11-27-16/h5,8-9,11,19,23H,1,6-7,10,13H2,2-4H3/t19-/m0/s1