3-(2-cyano-1,3-dithian-2-yl)-4-fluoranyl-2-(phenylmethyl)butanoic acid

Systemtic Name: 3-(2-cyano-1,3-dithian-2-yl)-4-fluoranyl-2-(phenylmethyl)butanoic acid Openeye Name: 2-benzyl-3-(2-cyano-1,3-dithian-2-yl)-4-fluoro-butanoic acid CAS Name: 3-(2-cyano-1,3-dithian-2-yl)-4-fluoro-2-(phenylmethyl)butanoic acid IUPAC Name: 2-benzyl-3-(2-cyano-1,3-dithian-2-yl)-4-fluorobutanoic acid Traditional Name: 2-benzyl-3-(2-cyano-1,3-dithian-2-yl)-4-fluoro-butyric acid Formula: C16H18FNO2S2 MolecularWeight: 339.448023

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)(C#N)C(CF)C(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CSC(SC1)(C#N)C(CF)C(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H18FNO2S2/c17-10-14(16(11-18)21-7-4-8-22-16)13(15(19)20)9-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-10H2,(H,19,20)