ditert-butyl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: ditert-butyl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl 2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CC=CS2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CC=CS2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29NO4S/c1-12-15(18(23)25-20(3,4)5)17(14-10-9-11-27-14)16(13(2)22-12)19(24)26-21(6,7)8/h9-11,17,22H,1-8H3