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

Systemtic Name: O3-ethyl O5-propan-2-yl 2-(3-bromanyl-3-phenyl-propyl)-6-methyl-4-(3-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-isopropyl 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-propan-2-yl ester IUPAC Name: 3-O-ethyl 5-O-propan-2-yl 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-isopropyl ester Formula: C29H34BrNO4S MolecularWeight: 572.55356

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34BrNO4S/c1-6-34-28(32)27-24(16-15-23(30)20-11-8-7-9-12-20)31-19(4)25(29(33)35-18(2)3)26(27)21-13-10-14-22(17-21)36-5/h7-14,17-18,23,26,31H,6,15-16H2,1-5H3