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

Systemtic Name: ethyl 4-[3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[3-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]propanoylamino]benzoate CAS Name: 4-[[3-[(3-cyano-6-phenyl-2-pyridinyl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-cyano-6-phenylpyridin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[(3-cyano-6-phenyl-2-pyridyl)thio]propanoylamino]benzoic acid ethyl ester Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C24H21N3O3S/c1-2-30-24(29)18-8-11-20(12-9-18)26-22(28)14-15-31-23-19(16-25)10-13-21(27-23)17-6-4-3-5-7-17/h3-13H,2,14-15H2,1H3,(H,26,28)