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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-3-8-13(2,12(16)17)14-11(15)7-6-10-5-4-9-18-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)(H,16,17)/b7-6+