diethyl (3R,4S)-2,6-dimethyl-4-thiophen-2-yl-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl (3R,4S)-2,6-dimethyl-4-thiophen-2-yl-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl (3R,4S)-2,6-dimethyl-4-(2-thienyl)-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (3R,4S)-2,6-dimethyl-4-thiophen-2-yl-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl (3R,4S)-2,6-dimethyl-4-thiophen-2-yl-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (3R,4S)-2,6-dimethyl-4-(2-thienyl)-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCC)C2=CC=CS2

Isomeric SMILES

CCOC(=O)[C@@H]1[C@@H](C(=C(N=C1C)C)C(=O)OCC)C2=CC=CS2

InChI

InChI=1S/C17H21NO4S/c1-5-21-16(19)13-10(3)18-11(4)14(17(20)22-6-2)15(13)12-8-7-9-23-12/h7-9,13,15H,5-6H2,1-4H3/t13-,15-/m0/s1