3-[(2,6-dimethylphenyl)carbamoylsulfanyl]propanoate

Systemtic Name: 3-[(2,6-dimethylphenyl)carbamoylsulfanyl]propanoate Openeye Name: 3-[(2,6-dimethylphenyl)carbamoylsulfanyl]propanoate CAS Name: 3-[[(2,6-dimethylanilino)-oxomethyl]thio]propanoate IUPAC Name: 3-[(2,6-dimethylphenyl)carbamoylsulfanyl]propanoate Traditional Name: 3-[(2,6-dimethylphenyl)carbamoylthio]propionate Formula: C12H14NO3S- MolecularWeight: 252.30946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)SCCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)SCCC(=O)[O-]

InChI

InChI=1S/C12H15NO3S/c1-8-4-3-5-9(2)11(8)13-12(16)17-7-6-10(14)15/h3-5H,6-7H2,1-2H3,(H,13,16)(H,14,15)/p-1