dimethyl 2,6-dimethyl-4-[5-methylsulfanyl-2-[(E)-4-[(2-oxidanyl-3-phenoxy-propyl)amino]but-2-enoxy]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 2,6-dimethyl-4-[5-methylsulfanyl-2-[(E)-4-[(2-oxidanyl-3-phenoxy-propyl)amino]but-2-enoxy]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-[2-[(E)-4-[(2-hydroxy-3-phenoxy-propyl)amino]but-2-enoxy]-5-methylsulfanyl-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[2-[(E)-4-[(2-hydroxy-3-phenoxypropyl)amino]but-2-enoxy]-5-(methylthio)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[2-[(E)-4-[(2-hydroxy-3-phenoxypropyl)amino]but-2-enoxy]-5-methylsulfanylphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[2-[(E)-4-[(2-hydroxy-3-phenoxy-propyl)amino]but-2-enoxy]-5-(methylthio)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C31H38N2O7S MolecularWeight: 582.70762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C=CC(=C2)SC)OCC=CCNCC(COC3=CC=CC=C3)O)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C=CC(=C2)SC)OC/C=C/CNCC(COC3=CC=CC=C3)O)C(=O)OC

InChI

InChI=1S/C31H38N2O7S/c1-20-27(30(35)37-3)29(28(21(2)33-20)31(36)38-4)25-17-24(41-5)13-14-26(25)39-16-10-9-15-32-18-22(34)19-40-23-11-7-6-8-12-23/h6-14,17,22,29,32-34H,15-16,18-19H2,1-5H3/b10-9+