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

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

Systemtic Name:4-[2-(3-cyano-6-propyl-pyridin-2-yl)sulfanylbutanoylamino]benzoic acid
Openeye Name:4-[2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]butanoylamino]benzoic acid
CAS Name:4-[[2-[(3-cyano-6-propyl-2-pyridinyl)thio]-1-oxobutyl]amino]benzoic acid
IUPAC Name:4-[2-(3-cyano-6-propylpyridin-2-yl)sulfanylbutanoylamino]benzoic acid
Traditional Name:4-[2-[(3-cyano-6-propyl-2-pyridyl)thio]butanoylamino]benzoic acid
Formula: C20H21N3O3S
MolecularWeight: 383.46404
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C20H21N3O3S/c1-3-5-15-11-8-14(12-21)19(23-15)27-17(4-2)18(24)22-16-9-6-13(7-10-16)20(25)26/h6-11,17H,3-5H2,1-2H3,(H,22,24)(H,25,26)


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