4-[[2-(3-cyano-6-methyl-pyridin-2-yl)sulfanylethanoylamino]methyl]benzoate

Systemtic Name: 4-[[2-(3-cyano-6-methyl-pyridin-2-yl)sulfanylethanoylamino]methyl]benzoate Openeye Name: 4-[[[2-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(3-cyano-6-methyl-2-pyridinyl)thio]-1-oxoethyl]amino]methyl]benzoate IUPAC Name: 4-[[[2-(3-cyano-6-methylpyridin-2-yl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(3-cyano-6-methyl-2-pyridyl)thio]acetyl]amino]methyl]benzoate Formula: C17H14N3O3S- MolecularWeight: 340.37636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCC(=O)NCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCC(=O)NCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C17H15N3O3S/c1-11-2-5-14(8-18)16(20-11)24-10-15(21)19-9-12-3-6-13(7-4-12)17(22)23/h2-7H,9-10H2,1H3,(H,19,21)(H,22,23)/p-1