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

Systemtic Name: chloranylbenzene; dimethyl 2,6-dimethyl-2-phenyl-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-pyridine-3,5-dicarboxylate Openeye Name: chlorobenzene; dimethyl 2,6-dimethyl-2-phenyl-4-thiazol-2-yl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate CAS Name: chlorobenzene; 2,6-dimethyl-2-phenyl-4-(2-thiazolyl)-3,4-dihydro-1H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: chlorobenzene; dimethyl 2,6-dimethyl-2-phenyl-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-pyridine-3,5-dicarboxylate Traditional Name: chlorobenzene; 2,6-dimethyl-2-phenyl-4-thiazol-2-yl-3,4-dihydro-1H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C26H27ClN2O4S MolecularWeight: 499.02158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(C(N1)(C)C2=CC=CC=C2)C(=O)OC)C3=NC=CS3)C(=O)OC.C1=CC=C(C=C1)Cl

Isomeric SMILES

CC1=C(C(C(C(N1)(C)C2=CC=CC=C2)C(=O)OC)C3=NC=CS3)C(=O)OC.C1=CC=C(C=C1)Cl

InChI

InChI=1S/C20H22N2O4S.C6H5Cl/c1-12-14(18(23)25-3)15(17-21-10-11-27-17)16(19(24)26-4)20(2,22-12)13-8-6-5-7-9-13;7-6-4-2-1-3-5-6/h5-11,15-16,22H,1-4H3;1-5H