3-[(2-aminocarbonylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(2-aminocarbonylphenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(2-carbamoylphenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(2-carbamoylphenyl)methylthio]propanoic acid IUPAC Name: 3-[(2-carbamoylphenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(2-carbamoylbenzyl)thio]propionic acid Formula: C11H13NO3S MolecularWeight: 239.29082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCC(=O)O)C(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCC(=O)O)C(=O)N

InChI

InChI=1S/C11H13NO3S/c12-11(15)9-4-2-1-3-8(9)7-16-6-5-10(13)14/h1-4H,5-7H2,(H2,12,15)(H,13,14)