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

Systemtic Name: prop-2-enyl (4S)-5-cyano-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-4-(3-methoxy-4-oxidanyl-phenyl)-2-methyl-3,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4S)-5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-6-(2-methoxy-2-oxo-ethyl)sulfanyl-2-methyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-[(2-methoxy-2-oxoethyl)thio]-2-methyl-3,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-(2-methoxy-2-oxoethyl)sulfanyl-2-methyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-6-[(2-keto-2-methoxy-ethyl)thio]-2-methyl-3,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6S/c1-5-8-29-21(26)18-12(2)23-20(30-11-17(25)28-4)14(10-22)19(18)13-6-7-15(24)16(9-13)27-3/h5-7,9,18-19,24H,1,8,11H2,2-4H3/t18?,19-/m0/s1