ethyl 5-cyano-6-(2-oxidanylidene-2-phenylmethoxy-ethyl)sulfanyl-2-phenyl-4-pyridin-3-yl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-(2-oxidanylidene-2-phenylmethoxy-ethyl)sulfanyl-2-phenyl-4-pyridin-3-yl-pyridine-3-carboxylate Openeye Name: ethyl 6-(2-benzyloxy-2-oxo-ethyl)sulfanyl-5-cyano-2-phenyl-4-(3-pyridyl)pyridine-3-carboxylate CAS Name: 5-cyano-6-[(2-oxo-2-phenylmethoxyethyl)thio]-2-phenyl-4-(3-pyridinyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-2-phenyl-4-pyridin-3-ylpyridine-3-carboxylate Traditional Name: 6-[(2-benzoxy-2-keto-ethyl)thio]-5-cyano-2-phenyl-4-(3-pyridyl)nicotinic acid ethyl ester Formula: C29H23N3O4S MolecularWeight: 509.57562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1C2=CN=CC=C2)C#N)SCC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1C2=CN=CC=C2)C#N)SCC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H23N3O4S/c1-2-35-29(34)26-25(22-14-9-15-31-17-22)23(16-30)28(32-27(26)21-12-7-4-8-13-21)37-19-24(33)36-18-20-10-5-3-6-11-20/h3-15,17H,2,18-19H2,1H3