2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]octanoic acid

Systemtic Name: 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]octanoic acid Openeye Name: 2-(4-phenylthiazol-2-yl)sulfanyloctanoic acid CAS Name: 2-[(4-phenyl-2-thiazolyl)thio]octanoic acid IUPAC Name: 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]octanoic acid Traditional Name: 2-[(4-phenylthiazol-2-yl)thio]caprylic acid Formula: C17H21NO2S2 MolecularWeight: 335.48414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=NC(=CS1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=NC(=CS1)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO2S2/c1-2-3-4-8-11-15(16(19)20)22-17-18-14(12-21-17)13-9-6-5-7-10-13/h5-7,9-10,12,15H,2-4,8,11H2,1H3,(H,19,20)