3-[3-[2-(methoxymethylsulfanyl)imidazol-1-yl]phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[3-[2-(methoxymethylsulfanyl)imidazol-1-yl]phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-[2-(methoxymethylsulfanyl)imidazol-1-yl]phenyl]-3-oxo-propanoic acid CAS Name: 3-[3-[2-(methoxymethylthio)-1-imidazolyl]phenyl]-3-oxopropanoic acid IUPAC Name: 3-[3-[2-(methoxymethylsulfanyl)imidazol-1-yl]phenyl]-3-oxopropanoic acid Traditional Name: 3-keto-3-[3-[2-(methoxymethylthio)imidazol-1-yl]phenyl]propionic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCSC1=NC=CN1C2=CC=CC(=C2)C(=O)CC(=O)O

Isomeric SMILES

COCSC1=NC=CN1C2=CC=CC(=C2)C(=O)CC(=O)O

InChI

InChI=1S/C14H14N2O4S/c1-20-9-21-14-15-5-6-16(14)11-4-2-3-10(7-11)12(17)8-13(18)19/h2-7H,8-9H2,1H3,(H,18,19)