ethyl 5-cyano-2-phenyl-6-propylsulfanyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-phenyl-6-propylsulfanyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-phenyl-6-propylsulfanyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-phenyl-6-(propylthio)-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-phenyl-6-propylsulfanyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2-phenyl-6-(propylthio)-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(C(=C(N1)C2=CC=CC=C2)C(=O)OCC)C3=CN=CC=C3)C#N

Isomeric SMILES

CCCSC1=C(C(C(=C(N1)C2=CC=CC=C2)C(=O)OCC)C3=CN=CC=C3)C#N

InChI

InChI=1S/C23H23N3O2S/c1-3-13-29-22-18(14-24)19(17-11-8-12-25-15-17)20(23(27)28-4-2)21(26-22)16-9-6-5-7-10-16/h5-12,15,19,26H,3-4,13H2,1-2H3