dimethyl 2,6-dimethyl-3-phenyl-4-(1,3-thiazol-2-yl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate; 4-nitrobicyclo[3.1.0]hexa-1(6),2,4-triene

Systemtic Name: dimethyl 2,6-dimethyl-3-phenyl-4-(1,3-thiazol-2-yl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate; 4-nitrobicyclo[3.1.0]hexa-1(6),2,4-triene Openeye Name: dimethyl 2,6-dimethyl-3-phenyl-4-thiazol-2-yl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate; 4-nitrobicyclo[3.1.0]hexa-1(6),2,4-triene CAS Name: 2,6-dimethyl-3-phenyl-4-(2-thiazolyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid dimethyl ester; 4-nitrobicyclo[3.1.0]hexa-1(6),2,4-triene IUPAC Name: dimethyl 2,6-dimethyl-3-phenyl-4-(1,3-thiazol-2-yl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate; 4-nitrobicyclo[3.1.0]hexa-1(6),2,4-triene Traditional Name: 2,6-dimethyl-3-phenyl-4-thiazol-2-yl-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid dimethyl ester; 4-nitrobicyclo[3.1.0]hexa-1(6),2,4-triene Formula: C26H25N3O6S MolecularWeight: 507.5582

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(=C(N1)C)C(=O)OC)C2=NC=CS2)(C3=CC=CC=C3)C(=O)OC.C1=CC(=C2C1=C2)[N+](=O)[O-]

Isomeric SMILES

CC1C(C(C(=C(N1)C)C(=O)OC)C2=NC=CS2)(C3=CC=CC=C3)C(=O)OC.C1=CC(=C2C1=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O4S.C6H3NO2/c1-12-15(18(23)25-3)16(17-21-10-11-27-17)20(13(2)22-12,19(24)26-4)14-8-6-5-7-9-14;8-7(9)6-2-1-4-3-5(4)6/h5-11,13,16,22H,1-4H3;1-3H