ethyl 6-(2-butoxy-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 6-(2-butoxy-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-(2-butoxy-2-oxo-ethyl)sulfanyl-5-cyano-2-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[(2-butoxy-2-oxoethyl)thio]-5-cyano-2-phenyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-butoxy-2-oxoethyl)sulfanyl-5-cyano-2-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[(2-butoxy-2-keto-ethyl)thio]-5-cyano-2-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=C(C(C(=C(N1)C2=CC=CC=C2)C(=O)OCC)C3=CN=CC=C3)C#N

Isomeric SMILES

CCCCOC(=O)CSC1=C(C(C(=C(N1)C2=CC=CC=C2)C(=O)OCC)C3=CN=CC=C3)C#N

InChI

InChI=1S/C26H27N3O4S/c1-3-5-14-33-21(30)17-34-25-20(15-27)22(19-12-9-13-28-16-19)23(26(31)32-4-2)24(29-25)18-10-7-6-8-11-18/h6-13,16,22,29H,3-5,14,17H2,1-2H3