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

Systemtic Name: O3-ethyl O5-methyl 2-(3-bromanyl-3-phenyl-propyl)-6-methyl-4-(3-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl 2-(3-bromo-3-phenyl-propyl)-6-methyl-4-(3-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-(3-bromo-3-phenylpropyl)-6-methyl-4-[3-(methylthio)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester IUPAC Name: 3-O-ethyl 5-O-methyl 2-(3-bromo-3-phenylpropyl)-6-methyl-4-(3-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(3-bromo-3-phenyl-propyl)-6-methyl-4-[3-(methylthio)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C27H30BrNO4S MolecularWeight: 544.5004

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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)CCC(C3=CC=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C27H30BrNO4S/c1-5-33-27(31)25-22(15-14-21(28)18-10-7-6-8-11-18)29-17(2)23(26(30)32-3)24(25)19-12-9-13-20(16-19)34-4/h6-13,16,21,24,29H,5,14-15H2,1-4H3