3-[(4-ethoxycarbonylphenyl)carbamoylsulfanyl]propanoic acid

Systemtic Name: 3-[(4-ethoxycarbonylphenyl)carbamoylsulfanyl]propanoic acid Openeye Name: 3-[(4-ethoxycarbonylphenyl)carbamoylsulfanyl]propanoic acid CAS Name: 3-[[(4-ethoxycarbonylanilino)-oxomethyl]thio]propanoic acid IUPAC Name: 3-[(4-ethoxycarbonylphenyl)carbamoylsulfanyl]propanoic acid Traditional Name: 3-[(4-carbethoxyphenyl)carbamoylthio]propionic acid Formula: C13H15NO5S MolecularWeight: 297.3269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)SCCC(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)SCCC(=O)O

InChI

InChI=1S/C13H15NO5S/c1-2-19-12(17)9-3-5-10(6-4-9)14-13(18)20-8-7-11(15)16/h3-6H,2,7-8H2,1H3,(H,14,18)(H,15,16)