3-methyl-2-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]pentanoic acid

Systemtic Name: 3-methyl-2-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]pentanoic acid Openeye Name: 3-methyl-2-[[(E)-3-(3-methyl-2-thienyl)prop-2-enoyl]amino]pentanoic acid CAS Name: 3-methyl-2-[[(E)-3-(3-methyl-2-thiophenyl)-1-oxoprop-2-enyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]pentanoic acid Traditional Name: 3-methyl-2-[[(E)-3-(3-methyl-2-thienyl)acryloyl]amino]valeric acid Formula: C14H19NO3S MolecularWeight: 281.37056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-4-9(2)13(14(17)18)15-12(16)6-5-11-10(3)7-8-19-11/h5-9,13H,4H2,1-3H3,(H,15,16)(H,17,18)/b6-5+