prop-2-enyl 5-cyano-6-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(2-fluorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl 5-cyano-6-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(2-fluorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl 5-cyano-6-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-4-(2-fluorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-(2-fluorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 5-cyano-6-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-4-(2-fluorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C25H28FN3O3S MolecularWeight: 469.571523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NC2CCCCC2)C#N)C3=CC=CC=C3F)C(=O)OCC=C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)NC2CCCCC2)C#N)C3=CC=CC=C3F)C(=O)OCC=C

InChI

InChI=1S/C25H28FN3O3S/c1-3-13-32-25(31)22-16(2)28-24(33-15-21(30)29-17-9-5-4-6-10-17)19(14-27)23(22)18-11-7-8-12-20(18)26/h3,7-8,11-12,17,23,28H,1,4-6,9-10,13,15H2,2H3,(H,29,30)