ethyl 2-[2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=C(C(=C2C#N)C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=C(C(=C2C#N)C)C)C

InChI

InChI=1S/C20H21N3O3S/c1-5-26-20(25)15-8-6-7-9-17(15)23-18(24)11-27-19-16(10-21)13(3)12(2)14(4)22-19/h6-9H,5,11H2,1-4H3,(H,23,24)