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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(C(C1NC2=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(C1NC2=NC=CS2)(C3=CC=CC=C3)C(=O)OCC)C)C.C1=CC=C(C=C1)[N+](=O)[O-]

InChI

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