4-(3-cyanophenyl)-5-(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-(3-cyanophenyl)-5-(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(3-cyanophenyl)-5-(5-ethoxycarbonyl-4-methyl-thiazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(3-cyanophenyl)-5-(5-ethoxycarbonyl-4-methyl-2-thiazolyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(3-cyanophenyl)-5-(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-(5-carbethoxy-4-methyl-thiazol-2-yl)-4-(3-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Formula: C22H21N3O4S MolecularWeight: 423.48484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)C2=C(NC(=C(C2C3=CC=CC(=C3)C#N)C(=O)O)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)C2=C(NC(=C(C2C3=CC=CC(=C3)C#N)C(=O)O)C)C)C

InChI

InChI=1S/C22H21N3O4S/c1-5-29-22(28)19-13(4)25-20(30-19)16-11(2)24-12(3)17(21(26)27)18(16)15-8-6-7-14(9-15)10-23/h6-9,18,24H,5H2,1-4H3,(H,26,27)