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

Systemtic Name: 4-[2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: 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]benzoate IUPAC Name: 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]benzoate Formula: C18H16N3O3S- MolecularWeight: 354.40294

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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)[O-])C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC(=O)NC2=CC=C(C=C2)C(=O)[O-])C

InChI

InChI=1S/C18H17N3O3S/c1-10-11(2)15(8-19)17(20-12(10)3)25-9-16(22)21-14-6-4-13(5-7-14)18(23)24/h4-7H,9H2,1-3H3,(H,21,22)(H,23,24)/p-1