3-[(2-ethoxycarbonyl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(2-ethoxycarbonyl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(2-ethoxycarbonylthiazol-4-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(2-ethoxycarbonyl-4-thiazolyl)methylthio]propanoic acid IUPAC Name: 3-[(2-ethoxycarbonyl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(2-carbethoxythiazol-4-yl)methylthio]propionic acid Formula: C10H13NO4S2 MolecularWeight: 275.34452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=CS1)CSCCC(=O)O

Isomeric SMILES

CCOC(=O)C1=NC(=CS1)CSCCC(=O)O

InChI

InChI=1S/C10H13NO4S2/c1-2-15-10(14)9-11-7(6-17-9)5-16-4-3-8(12)13/h6H,2-5H2,1H3,(H,12,13)