ethyl 5-cyano-4-[2-(3-fluorophenyl)-1,3-benzothiazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-4-[2-(3-fluorophenyl)-1,3-benzothiazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-4-[2-(3-fluorophenyl)-1,3-benzothiazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-[2-(3-fluorophenyl)-1,3-benzothiazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-4-[2-(3-fluorophenyl)-1,3-benzothiazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-4-[2-(3-fluorophenyl)-1,3-benzothiazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C24H20FN3O2S MolecularWeight: 433.497903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=C3C(=CC=C2)SC(=N3)C4=CC(=CC=C4)F)C#N)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=C3C(=CC=C2)SC(=N3)C4=CC(=CC=C4)F)C#N)C)C

InChI

InChI=1S/C24H20FN3O2S/c1-4-30-24(29)20-14(3)27-13(2)18(12-26)21(20)17-9-6-10-19-22(17)28-23(31-19)15-7-5-8-16(25)11-15/h5-11,21,27H,4H2,1-3H3