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

Systemtic Name: diethyl 2,6-dimethyl-2-phenyl-4-(1,3-thiazol-2-ylamino)-3,4-dihydro-1H-pyridine-3,5-dicarboxylate; nitrobenzene Openeye Name: diethyl 2,6-dimethyl-2-phenyl-4-(thiazol-2-ylamino)-3,4-dihydro-1H-pyridine-3,5-dicarboxylate; nitrobenzene CAS Name: 2,6-dimethyl-2-phenyl-4-(2-thiazolylamino)-3,4-dihydro-1H-pyridine-3,5-dicarboxylic acid diethyl ester; nitrobenzene IUPAC Name: diethyl 2,6-dimethyl-2-phenyl-4-(1,3-thiazol-2-ylamino)-3,4-dihydro-1H-pyridine-3,5-dicarboxylate; nitrobenzene Traditional Name: 2,6-dimethyl-2-phenyl-4-(thiazol-2-ylamino)-3,4-dihydro-1H-pyridine-3,5-dicarboxylic acid diethyl ester; nitrobenzene Formula: C28H32N4O6S MolecularWeight: 552.64188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(NC1(C)C2=CC=CC=C2)C)C(=O)OCC)NC3=NC=CS3.C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1C(C(=C(NC1(C)C2=CC=CC=C2)C)C(=O)OCC)NC3=NC=CS3.C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O4S.C6H5NO2/c1-5-28-19(26)16-14(3)25-22(4,15-10-8-7-9-11-15)17(20(27)29-6-2)18(16)24-21-23-12-13-30-21;8-7(9)6-4-2-1-3-5-6/h7-13,17-18,25H,5-6H2,1-4H3,(H,23,24);1-5H