O4-(1,3-benzothiazol-2-ylmethyl) O3,O5-diethyl 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate

Systemtic Name: O4-(1,3-benzothiazol-2-ylmethyl) O3,O5-diethyl 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate Openeye Name: O4-(1,3-benzothiazol-2-ylmethyl) O3,O5-diethyl 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate CAS Name: 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylic acid O4-(1,3-benzothiazol-2-ylmethyl) ester O3,O5-diethyl ester IUPAC Name: 4-O-(1,3-benzothiazol-2-ylmethyl) 3-O,5-O-diethyl 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate Traditional Name: 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylic acid O4-(1,3-benzothiazol-2-ylmethyl) ester O3,O5-diethyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C(=O)OCC2=NC3=CC=CC=C3S2)C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C(=O)OCC2=NC3=CC=CC=C3S2)C(=O)OCC)C)C

InChI

InChI=1S/C22H24N2O6S/c1-5-28-20(25)17-12(3)23-13(4)18(21(26)29-6-2)19(17)22(27)30-11-16-24-14-9-7-8-10-15(14)31-16/h7-10,19,23H,5-6,11H2,1-4H3