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

Systemtic Name: 2-[[4-[2-(3-cyano-6-propyl-pyridin-2-yl)sulfanylethanoylamino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[[2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]acetyl]amino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[[2-[(3-cyano-6-propyl-2-pyridinyl)thio]-1-oxoethyl]amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[[2-(3-cyano-6-propylpyridin-2-yl)sulfanylacetyl]amino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[[2-[(3-cyano-6-propyl-2-pyridyl)thio]acetyl]amino]benzoyl]amino]acetic acid Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)O

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)O

InChI

InChI=1S/C20H20N4O4S/c1-2-3-15-9-6-14(10-21)20(24-15)29-12-17(25)23-16-7-4-13(5-8-16)19(28)22-11-18(26)27/h4-9H,2-3,11-12H2,1H3,(H,22,28)(H,23,25)(H,26,27)