diethyl 4-(1,3-benzothiazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(1,3-benzothiazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(1,3-benzothiazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(1,3-benzothiazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(1,3-benzothiazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(1,3-benzothiazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=NC3=CC=CC=C3S2)C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=NC3=CC=CC=C3S2)C(=O)OCC)C)C

InChI

InChI=1S/C20H22N2O4S/c1-5-25-19(23)15-11(3)21-12(4)16(20(24)26-6-2)17(15)18-22-13-9-7-8-10-14(13)27-18/h7-10,17,21H,5-6H2,1-4H3