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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C=CC1=CC(=C(C=C1)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClFNO3S/c1-21-7-6-12(14(19)20)17-13(18)5-3-9-2-4-11(16)10(15)8-9/h2-5,8,12H,6-7H2,1H3,(H,17,18)(H,19,20)/b5-3+