2-[[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[(E)-3-(2-chloro-6-fluoro-phenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(E)-3-(2-chloro-6-fluorophenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[(E)-3-(2-chloro-6-fluoro-phenyl)acryloyl]amino]-4-(methylthio)butyric acid Formula: C14H15ClFNO3S MolecularWeight: 331.790203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C=CC1=C(C=CC=C1Cl)F

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)/C=C/C1=C(C=CC=C1Cl)F

InChI

InChI=1S/C14H15ClFNO3S/c1-21-8-7-12(14(19)20)17-13(18)6-5-9-10(15)3-2-4-11(9)16/h2-6,12H,7-8H2,1H3,(H,17,18)(H,19,20)/b6-5+