prop-2-enyl (4S)-5-cyano-2-methyl-6-sulfanyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl (4S)-5-cyano-2-methyl-6-sulfanyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4S)-5-cyano-2-methyl-6-sulfanyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-6-mercapto-2-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-5-cyano-2-methyl-6-sulfanyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-6-mercapto-2-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-6-7-27-20(23)16-11(2)22-19(28)13(10-21)17(16)12-8-14(24-3)18(26-5)15(9-12)25-4/h6,8-9,16-17,28H,1,7H2,2-5H3/t16?,17-/m0/s1