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

Systemtic Name: prop-2-enyl (4S)-5-cyano-4-(3-methoxy-4-phenylmethoxy-phenyl)-2-methyl-6-methylsulfanyl-3,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4S)-4-(4-benzyloxy-3-methoxy-phenyl)-5-cyano-2-methyl-6-methylsulfanyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-6-(methylthio)-3,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-5-cyano-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-6-methylsulfanyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-4-(4-benzoxy-3-methoxy-phenyl)-5-cyano-2-methyl-6-(methylthio)-3,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OCC=C)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C#N)SC

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OCC=C)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C#N)SC

InChI

InChI=1S/C26H26N2O4S/c1-5-13-31-26(29)23-17(2)28-25(33-4)20(15-27)24(23)19-11-12-21(22(14-19)30-3)32-16-18-9-7-6-8-10-18/h5-12,14,23-24H,1,13,16H2,2-4H3/t23?,24-/m0/s1