3,3-dimethyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]butanoic acid

Systemtic Name: 3,3-dimethyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]butanoic acid Openeye Name: 3,3-dimethyl-2-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]butanoic acid CAS Name: 3,3-dimethyl-2-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]butanoic acid Traditional Name: 3,3-dimethyl-2-[[(E)-3-(2-thienyl)acryloyl]amino]butyric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C(C(=O)O)NC(=O)/C=C/C1=CC=CS1

InChI

InChI=1S/C13H17NO3S/c1-13(2,3)11(12(16)17)14-10(15)7-6-9-5-4-8-18-9/h4-8,11H,1-3H3,(H,14,15)(H,16,17)/b7-6+