(2S)-3-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]butanoic acid CAS Name: (2S)-3-methyl-2-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]butanoic acid Traditional Name: (2S)-3-methyl-2-[[(E)-3-(2-thienyl)acryloyl]amino]butyric acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C=CC1=CC=CS1

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)/C=C/C1=CC=CS1

InChI

InChI=1S/C12H15NO3S/c1-8(2)11(12(15)16)13-10(14)6-5-9-4-3-7-17-9/h3-8,11H,1-2H3,(H,13,14)(H,15,16)/b6-5+/t11-/m0/s1