3-methoxy-2-[4-(2-methylprop-2-enoylamino)phenyl]sulfanyl-3-oxidanylidene-propanoic acid

Systemtic Name: 3-methoxy-2-[4-(2-methylprop-2-enoylamino)phenyl]sulfanyl-3-oxidanylidene-propanoic acid Openeye Name: 3-methoxy-2-[4-(2-methylprop-2-enoylamino)phenyl]sulfanyl-3-oxo-propanoic acid CAS Name: 3-methoxy-2-[[4-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl]thio]-3-oxopropanoic acid IUPAC Name: 3-methoxy-2-[4-(2-methylprop-2-enoylamino)phenyl]sulfanyl-3-oxopropanoic acid Traditional Name: 3-keto-2-[(4-methacrylamidophenyl)thio]-3-methoxy-propionic acid Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO5S/c1-8(2)12(16)15-9-4-6-10(7-5-9)21-11(13(17)18)14(19)20-3/h4-7,11H,1H2,2-3H3,(H,15,16)(H,17,18)