4-methylsulfanyl-2-[[(E)-3-phenylprop-2-enyl]carbamoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[(E)-3-phenylprop-2-enyl]carbamoylamino]butanoic acid Openeye Name: 2-[[(E)-cinnamyl]carbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[[(E)-3-phenylprop-2-enyl]amino]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[(E)-3-phenylprop-2-enyl]carbamoylamino]butanoic acid Traditional Name: 2-[[(E)-cinnamyl]carbamoylamino]-4-(methylthio)butyric acid Formula: C15H20N2O3S MolecularWeight: 308.3959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)NCC=CC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3S/c1-21-11-9-13(14(18)19)17-15(20)16-10-5-8-12-6-3-2-4-7-12/h2-8,13H,9-11H2,1H3,(H,18,19)(H2,16,17,20)/b8-5+