O3-methyl O5-(1-phenyl-2-thiomorpholin-4-yl-ethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-methyl O5-(1-phenyl-2-thiomorpholin-4-yl-ethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-methyl O5-(1-phenyl-2-thiomorpholino-ethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-(1-phenyl-2-thiomorpholin-4-ylethyl) ester IUPAC Name: 3-O-methyl 5-O-(1-phenyl-2-thiomorpholin-4-ylethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-(1-phenyl-2-thiomorpholino-ethyl) ester Formula: C28H31N3O6S MolecularWeight: 537.62724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(CN2CCSCC2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(CN2CCSCC2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C28H31N3O6S/c1-18-24(27(32)36-3)26(21-10-7-11-22(16-21)31(34)35)25(19(2)29-18)28(33)37-23(20-8-5-4-6-9-20)17-30-12-14-38-15-13-30/h4-11,16,23,26,29H,12-15,17H2,1-3H3