O5-ethyl O3-methyl 2-methyl-4-(3-methylsulfanylphenyl)-6-(3-phenylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl 2-methyl-4-(3-methylsulfanylphenyl)-6-(3-phenylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 2-methyl-4-(3-methylsulfanylphenyl)-6-(3-phenylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-[3-(methylthio)phenyl]-6-(3-phenylpropyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 2-methyl-4-(3-methylsulfanylphenyl)-6-(3-phenylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-4-[3-(methylthio)phenyl]-6-(3-phenylpropyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C27H31NO4S MolecularWeight: 465.60434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)SC)C(=O)OC)C)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)SC)C(=O)OC)C)CCCC3=CC=CC=C3

InChI

InChI=1S/C27H31NO4S/c1-5-32-27(30)25-22(16-9-13-19-11-7-6-8-12-19)28-18(2)23(26(29)31-3)24(25)20-14-10-15-21(17-20)33-4/h6-8,10-12,14-15,17,24,28H,5,9,13,16H2,1-4H3