ethyl 4-[2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3-cyano-6-phenyl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-cyano-6-phenylpyridin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-cyano-6-phenyl-2-pyridyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C23H19N3O3S/c1-2-29-23(28)17-8-11-19(12-9-17)25-21(27)15-30-22-18(14-24)10-13-20(26-22)16-6-4-3-5-7-16/h3-13H,2,15H2,1H3,(H,25,27)