2-methoxy-2-[4-(2-methylprop-2-enoylamino)phenyl]sulfanyl-ethanoic acid

Systemtic Name: 2-methoxy-2-[4-(2-methylprop-2-enoylamino)phenyl]sulfanyl-ethanoic acid Openeye Name: 2-methoxy-2-[4-(2-methylprop-2-enoylamino)phenyl]sulfanyl-acetic acid CAS Name: 2-methoxy-2-[[4-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl]thio]acetic acid IUPAC Name: 2-methoxy-2-[4-(2-methylprop-2-enoylamino)phenyl]sulfanylacetic acid Traditional Name: 2-[(4-methacrylamidophenyl)thio]-2-methoxy-acetic acid Formula: C13H15NO4S MolecularWeight: 281.3275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)NC1=CC=C(C=C1)SC(C(=O)O)OC

Isomeric SMILES

CC(=C)C(=O)NC1=CC=C(C=C1)SC(C(=O)O)OC

InChI

InChI=1S/C13H15NO4S/c1-8(2)11(15)14-9-4-6-10(7-5-9)19-13(18-3)12(16)17/h4-7,13H,1H2,2-3H3,(H,14,15)(H,16,17)