(2S)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(E)-3-(4-fluorophenyl)acryloyl]amino]-4-(methylthio)butyrate Formula: C14H15FNO3S- MolecularWeight: 296.337203

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C=CC1=CC=C(C=C1)F

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)/C=C/C1=CC=C(C=C1)F

InChI

InChI=1S/C14H16FNO3S/c1-20-9-8-12(14(18)19)16-13(17)7-4-10-2-5-11(15)6-3-10/h2-7,12H,8-9H2,1H3,(H,16,17)(H,18,19)/p-1/b7-4+/t12-/m0/s1