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

Systemtic Name: ethyl 4-[3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[3-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]propanoylamino]benzoate CAS Name: 4-[[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]propanoylamino]benzoic acid ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-4-26-20(25)15-5-7-16(8-6-15)23-18(24)9-10-27-19-17(12-21)13(2)11-14(3)22-19/h5-8,11H,4,9-10H2,1-3H3,(H,23,24)