prop-2-enyl (4S)-5-cyano-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-4-(3-methoxy-4-phenylmethoxy-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-phenylmethoxy-phenyl)-2-methyl-3,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4S)-4-(4-benzyloxy-3-methoxy-phenyl)-5-cyano-6-(2-methoxy-2-oxo-ethyl)sulfanyl-2-methyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-6-[(2-methoxy-2-oxoethyl)thio]-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-3,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-4-(4-benzoxy-3-methoxy-phenyl)-5-cyano-6-[(2-keto-2-methoxy-ethyl)thio]-2-methyl-3,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C28H28N2O6S MolecularWeight: 520.59672

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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)SCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O6S/c1-5-13-35-28(32)25-18(2)30-27(37-17-24(31)34-4)21(15-29)26(25)20-11-12-22(23(14-20)33-3)36-16-19-9-7-6-8-10-19/h5-12,14,25-26H,1,13,16-17H2,2-4H3/t25?,26-/m0/s1