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

Systemtic Name: butyl 5-cyano-2,6-dimethyl-4-(4-oxidanylidene-2-phenyl-thiochromen-8-yl)-1,4-dihydropyridine-3-carboxylate Openeye Name: butyl 5-cyano-2,6-dimethyl-4-(4-oxo-2-phenyl-thiochromen-8-yl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2,6-dimethyl-4-(4-oxo-2-phenyl-1-benzothiopyran-8-yl)-1,4-dihydropyridine-3-carboxylic acid butyl ester IUPAC Name: butyl 5-cyano-2,6-dimethyl-4-(4-oxo-2-phenylthiochromen-8-yl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-4-(4-keto-2-phenyl-thiochromen-8-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid butyl ester Formula: C28H26N2O3S MolecularWeight: 470.58264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2O3S/c1-4-5-14-33-28(32)25-18(3)30-17(2)22(16-29)26(25)21-13-9-12-20-23(31)15-24(34-27(20)21)19-10-7-6-8-11-19/h6-13,15,26,30H,4-5,14H2,1-3H3