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

Systemtic Name: prop-2-enyl 6-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl 6-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[[2-(tert-butylamino)-2-oxoethyl]thio]-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 6-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[[2-(tert-butylamino)-2-keto-ethyl]thio]-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NC(C)(C)C)C#N)C2=CC=CC=C2)C(=O)OCC=C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)NC(C)(C)C)C#N)C2=CC=CC=C2)C(=O)OCC=C

InChI

InChI=1S/C23H27N3O3S/c1-6-12-29-22(28)19-15(2)25-21(30-14-18(27)26-23(3,4)5)17(13-24)20(19)16-10-8-7-9-11-16/h6-11,20,25H,1,12,14H2,2-5H3,(H,26,27)