diethyl 2,6-dimethyl-3-phenyl-4-(1,3-thiazol-2-yl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate; nitrobenzene

Systemtic Name: diethyl 2,6-dimethyl-3-phenyl-4-(1,3-thiazol-2-yl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate; nitrobenzene Openeye Name: diethyl 2,6-dimethyl-3-phenyl-4-thiazol-2-yl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate; nitrobenzene CAS Name: 2,6-dimethyl-3-phenyl-4-(2-thiazolyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid diethyl ester; nitrobenzene IUPAC Name: diethyl 2,6-dimethyl-3-phenyl-4-(1,3-thiazol-2-yl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate; nitrobenzene Traditional Name: 2,6-dimethyl-3-phenyl-4-thiazol-2-yl-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid diethyl ester; nitrobenzene Formula: C28H31N3O6S MolecularWeight: 537.62724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(C(C1C2=NC=CS2)(C3=CC=CC=C3)C(=O)OCC)C)C.C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(C(C1C2=NC=CS2)(C3=CC=CC=C3)C(=O)OCC)C)C.C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O4S.C6H5NO2/c1-5-27-20(25)17-14(3)24-15(4)22(21(26)28-6-2,16-10-8-7-9-11-16)18(17)19-23-12-13-29-19;8-7(9)6-4-2-1-3-5-6/h7-13,15,18,24H,5-6H2,1-4H3;1-5H