3-[(2,6-dimethylphenyl)carbamoylsulfanyl]propanoic acid

Systemtic Name: 3-[(2,6-dimethylphenyl)carbamoylsulfanyl]propanoic acid Openeye Name: 3-[(2,6-dimethylphenyl)carbamoylsulfanyl]propanoic acid CAS Name: 3-[[(2,6-dimethylanilino)-oxomethyl]thio]propanoic acid IUPAC Name: 3-[(2,6-dimethylphenyl)carbamoylsulfanyl]propanoic acid Traditional Name: 3-[(2,6-dimethylphenyl)carbamoylthio]propionic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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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)