ethyl 5-cyano-2,6-dimethyl-4-(2-phenyl-4H-thiochromen-8-yl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2,6-dimethyl-4-(2-phenyl-4H-thiochromen-8-yl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2,6-dimethyl-4-(2-phenyl-4H-thiochromen-8-yl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2,6-dimethyl-4-(2-phenyl-4H-1-benzothiopyran-8-yl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2,6-dimethyl-4-(2-phenyl-4H-thiochromen-8-yl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2,6-dimethyl-4-(2-phenyl-4H-thiochromen-8-yl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C26H24N2O2S MolecularWeight: 428.54596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC3=C2SC(=CC3)C4=CC=CC=C4)C#N)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC3=C2SC(=CC3)C4=CC=CC=C4)C#N)C)C

InChI

InChI=1S/C26H24N2O2S/c1-4-30-26(29)23-17(3)28-16(2)21(15-27)24(23)20-12-8-11-19-13-14-22(31-25(19)20)18-9-6-5-7-10-18/h5-12,14,24,28H,4,13H2,1-3H3