O5-[3-(4-butanoylphenyl)sulfanylpropyl] O3-methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-[3-(4-butanoylphenyl)sulfanylpropyl] O3-methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-[3-(4-butanoylphenyl)sulfanylpropyl] O3-methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[3-[[4-(1-oxobutyl)phenyl]thio]propyl] ester IUPAC Name: 5-O-[3-(4-butanoylphenyl)sulfanylpropyl] 3-O-methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[3-[(4-butyrylphenyl)thio]propyl] ester O3-methyl ester Formula: C24H31NO5S MolecularWeight: 445.57164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=C(C=C1)SCCCOC(=O)C2=C(NC(=C(C2C)C(=O)OC)C)C

Isomeric SMILES

CCCC(=O)C1=CC=C(C=C1)SCCCOC(=O)C2=C(NC(=C(C2C)C(=O)OC)C)C

InChI

InChI=1S/C24H31NO5S/c1-6-8-20(26)18-9-11-19(12-10-18)31-14-7-13-30-24(28)22-15(2)21(23(27)29-5)16(3)25-17(22)4/h9-12,15,25H,6-8,13-14H2,1-5H3