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

Systemtic Name: chloranylbenzene; diethyl 2,6-dimethyl-3-phenyl-4-(1,3-thiazol-2-yl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate Openeye Name: chlorobenzene; diethyl 2,6-dimethyl-3-phenyl-4-thiazol-2-yl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate CAS Name: chlorobenzene; 2,6-dimethyl-3-phenyl-4-(2-thiazolyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: chlorobenzene; diethyl 2,6-dimethyl-3-phenyl-4-(1,3-thiazol-2-yl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate Traditional Name: chlorobenzene; 2,6-dimethyl-3-phenyl-4-thiazol-2-yl-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C28H31ClN2O4S MolecularWeight: 527.07474

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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)Cl

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)Cl

InChI

InChI=1S/C22H26N2O4S.C6H5Cl/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;7-6-4-2-1-3-5-6/h7-13,15,18,24H,5-6H2,1-4H3;1-5H