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

Systemtic Name: O4-(1,3-benzothiazol-2-ylmethyl) O3,O5-dimethyl 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate Openeye Name: O4-(1,3-benzothiazol-2-ylmethyl) O3,O5-dimethyl 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-dimethyl ester IUPAC Name: 4-O-(1,3-benzothiazol-2-ylmethyl) 3-O,5-O-dimethyl 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-dimethyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C(=O)OCC2=NC3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C(=O)OCC2=NC3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C20H20N2O6S/c1-10-15(18(23)26-3)17(16(11(2)21-10)19(24)27-4)20(25)28-9-14-22-12-7-5-6-8-13(12)29-14/h5-8,17,21H,9H2,1-4H3