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4-[2-(6-butyl-3-cyano-pyridin-2-yl)sulfanylbutanoylamino]benzoic acid

4-[2-(6-butyl-3-cyano-pyridin-2-yl)sulfanylbutanoylamino]benzoic acid

Systemtic Name:4-[2-(6-butyl-3-cyano-pyridin-2-yl)sulfanylbutanoylamino]benzoic acid
Openeye Name:4-[2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]butanoylamino]benzoic acid
CAS Name:4-[[2-[(6-butyl-3-cyano-2-pyridinyl)thio]-1-oxobutyl]amino]benzoic acid
IUPAC Name:4-[2-(6-butyl-3-cyanopyridin-2-yl)sulfanylbutanoylamino]benzoic acid
Traditional Name:4-[2-[(6-butyl-3-cyano-2-pyridyl)thio]butanoylamino]benzoic acid
Formula: C21H23N3O3S
MolecularWeight: 397.49062
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H23N3O3S/c1-3-5-6-16-12-9-15(13-22)20(24-16)28-18(4-2)19(25)23-17-10-7-14(8-11-17)21(26)27/h7-12,18H,3-6H2,1-2H3,(H,23,25)(H,26,27)


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