O3,O5-dimethyl O4-[(4-methylsulfanylphenyl)methyl] (4S)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate

Systemtic Name: O3,O5-dimethyl O4-[(4-methylsulfanylphenyl)methyl] (4S)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate Openeye Name: O3,O5-dimethyl O4-[(4-methylsulfanylphenyl)methyl] (4S)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate CAS Name: (4S)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylic acid O3,O5-dimethyl ester O4-[[4-(methylthio)phenyl]methyl] ester IUPAC Name: 3-O,5-O-dimethyl 4-O-[(4-methylsulfanylphenyl)methyl] (4S)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate Traditional Name: (4S)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylic acid O3,O5-dimethyl ester O4-[4-(methylthio)benzyl] ester Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OC)C(=O)OCC2=CC=C(C=C2)SC)C(=O)OC)C

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)OC)C(=O)OCC2=CC=C(C=C2)SC)C(=O)OC)C

InChI

InChI=1S/C20H23NO6S/c1-11-15(18(22)25-3)17(16(12(2)21-11)19(23)26-4)20(24)27-10-13-6-8-14(28-5)9-7-13/h6-9,15,17H,10H2,1-5H3/t15?,17-/m0/s1