diethyl 4-[2-[(4-methoxyphenyl)methylsulfanyl]-3-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-[2-[(4-methoxyphenyl)methylsulfanyl]-3-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-[2-[(4-methoxyphenyl)methylsulfanyl]-3-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[2-[(4-methoxyphenyl)methylthio]-3-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[2-[(4-methoxyphenyl)methylsulfanyl]-3-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-[3-nitro-2-(p-anisylthio)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C27H30N2O7S MolecularWeight: 526.6013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)OC)C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)OC)C(=O)OCC)C)C

InChI

InChI=1S/C27H30N2O7S/c1-6-35-26(30)22-16(3)28-17(4)23(27(31)36-7-2)24(22)20-9-8-10-21(29(32)33)25(20)37-15-18-11-13-19(34-5)14-12-18/h8-14,24,28H,6-7,15H2,1-5H3