prop-2-enyl (4S)-5-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-2-methyl-6-phenacylsulfanyl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl (4S)-5-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-2-methyl-6-phenacylsulfanyl-3,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4S)-5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-methyl-6-phenacylsulfanyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-6-(phenacylthio)-3,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-6-phenacylsulfanyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-methyl-6-(phenacylthio)-3,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C26H24N2O5S MolecularWeight: 476.54416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OCC=C)C2=CC(=C(C=C2)O)OC)C#N)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OCC=C)C2=CC(=C(C=C2)O)OC)C#N)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H24N2O5S/c1-4-12-33-26(31)23-16(2)28-25(34-15-21(30)17-8-6-5-7-9-17)19(14-27)24(23)18-10-11-20(29)22(13-18)32-3/h4-11,13,23-24,29H,1,12,15H2,2-3H3/t23?,24-/m0/s1