3-methyl-3-(phenylmethylsulfanyl)-2-(prop-2-enoylamino)butanoic acid

Systemtic Name: 3-methyl-3-(phenylmethylsulfanyl)-2-(prop-2-enoylamino)butanoic acid Openeye Name: 3-benzylsulfanyl-3-methyl-2-(prop-2-enoylamino)butanoic acid CAS Name: 3-methyl-2-(1-oxoprop-2-enylamino)-3-(phenylmethylthio)butanoic acid IUPAC Name: 3-benzylsulfanyl-3-methyl-2-(prop-2-enoylamino)butanoic acid Traditional Name: 2-acrylamido-3-(benzylthio)-3-methyl-butyric acid Formula: C15H19NO3S MolecularWeight: 293.38126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NC(=O)C=C)SCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C(C(=O)O)NC(=O)C=C)SCC1=CC=CC=C1

InChI

InChI=1S/C15H19NO3S/c1-4-12(17)16-13(14(18)19)15(2,3)20-10-11-8-6-5-7-9-11/h4-9,13H,1,10H2,2-3H3,(H,16,17)(H,18,19)