ethyl 5-cyano-2-phenyl-5-prop-2-enyl-4-pyridin-3-yl-6-sulfanylidene-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-phenyl-5-prop-2-enyl-4-pyridin-3-yl-6-sulfanylidene-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-allyl-5-cyano-2-phenyl-4-(3-pyridyl)-6-thioxo-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-phenyl-5-prop-2-enyl-4-(3-pyridinyl)-6-sulfanylidene-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-phenyl-5-prop-2-enyl-4-pyridin-3-yl-6-sulfanylidene-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-allyl-5-cyano-2-phenyl-4-(3-pyridyl)-6-thioxo-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)C(C1C2=CN=CC=C2)(CC=C)C#N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)C(C1C2=CN=CC=C2)(CC=C)C#N)C3=CC=CC=C3

InChI

InChI=1S/C23H21N3O2S/c1-3-12-23(15-24)19(17-11-8-13-25-14-17)18(21(27)28-4-2)20(26-22(23)29)16-9-6-5-7-10-16/h3,5-11,13-14,19H,1,4,12H2,2H3,(H,26,29)