2-[[4-[2-(6-butyl-3-cyano-pyridin-2-yl)sulfanylethanoylamino]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-[2-(6-butyl-3-cyano-pyridin-2-yl)sulfanylethanoylamino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[[2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]acetyl]amino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[[2-[(6-butyl-3-cyano-2-pyridinyl)thio]-1-oxoethyl]amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[[2-(6-butyl-3-cyanopyridin-2-yl)sulfanylacetyl]amino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[[2-[(6-butyl-3-cyano-2-pyridyl)thio]acetyl]amino]benzoyl]amino]acetic acid Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)O

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)O

InChI

InChI=1S/C21H22N4O4S/c1-2-3-4-16-10-7-15(11-22)21(25-16)30-13-18(26)24-17-8-5-14(6-9-17)20(29)23-12-19(27)28/h5-10H,2-4,12-13H2,1H3,(H,23,29)(H,24,26)(H,27,28)