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

Systemtic Name: prop-2-enyl 5-cyano-6-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl 5-cyano-6-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(cyclohexylamino)-2-oxoethyl]thio]-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 5-cyano-6-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3S/c1-3-14-31-25(30)22-17(2)27-24(20(15-26)23(22)18-10-6-4-7-11-18)32-16-21(29)28-19-12-8-5-9-13-19/h3-4,6-7,10-11,19,23,27H,1,5,8-9,12-14,16H2,2H3,(H,28,29)