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

Systemtic Name: propan-2-yl 4-[2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]acetyl]amino]benzoic acid isopropyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C)C

InChI

InChI=1S/C21H23N3O3S/c1-12(2)27-21(26)16-6-8-17(9-7-16)24-19(25)11-28-20-18(10-22)14(4)13(3)15(5)23-20/h6-9,12H,11H2,1-5H3,(H,24,25)