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

Systemtic Name: O3-methyl O5-[3-(4-propoxyphenyl)sulfanylpropyl] 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-methyl O5-[3-(4-propoxyphenyl)sulfanylpropyl] 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-propoxyphenyl)thio]propyl] ester IUPAC Name: 3-O-methyl 5-O-[3-(4-propoxyphenyl)sulfanylpropyl] 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[3-[(4-propoxyphenyl)thio]propyl] ester Formula: C23H31NO5S MolecularWeight: 433.56094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)SCCCOC(=O)C2=C(NC(=C(C2C)C(=O)OC)C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)SCCCOC(=O)C2=C(NC(=C(C2C)C(=O)OC)C)C

InChI

InChI=1S/C23H31NO5S/c1-6-12-28-18-8-10-19(11-9-18)30-14-7-13-29-23(26)21-15(2)20(22(25)27-5)16(3)24-17(21)4/h8-11,15,24H,6-7,12-14H2,1-5H3