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

Systemtic Name: ethyl 5-cyano-2,6-dimethyl-4-(2-phenyl-1,3-benzothiazol-4-yl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2,6-dimethyl-4-(2-phenyl-1,3-benzothiazol-4-yl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2,6-dimethyl-4-(2-phenyl-1,3-benzothiazol-4-yl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2,6-dimethyl-4-(2-phenyl-1,3-benzothiazol-4-yl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2,6-dimethyl-4-(2-phenyl-1,3-benzothiazol-4-yl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C24H21N3O2S MolecularWeight: 415.50744

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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)C#N)C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O2S/c1-4-29-24(28)20-15(3)26-14(2)18(13-25)21(20)17-11-8-12-19-22(17)27-23(30-19)16-9-6-5-7-10-16/h5-12,21,26H,4H2,1-3H3