2,6-dimethyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-4-thiophen-3-yl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-4-thiophen-3-yl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-[(E)-cinnamyl]oxycarbonyl-2,6-dimethyl-4-(3-thienyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-5-[oxo-[(E)-3-phenylprop-2-enoxy]methyl]-4-(3-thiophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-4-thiophen-3-yl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-[(E)-cinnamyl]oxycarbonyl-2,6-dimethyl-4-(3-thienyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C22H21NO4S MolecularWeight: 395.47144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC=CC2=CC=CC=C2)C3=CSC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC/C=C/C2=CC=CC=C2)C3=CSC=C3)C(=O)O

InChI

InChI=1S/C22H21NO4S/c1-14-18(21(24)25)20(17-10-12-28-13-17)19(15(2)23-14)22(26)27-11-6-9-16-7-4-3-5-8-16/h3-10,12-13,20,23H,11H2,1-2H3,(H,24,25)/b9-6+