2-[methyl-(2,4,6-trimethylphenyl)carbamoyl]sulfanylethanoic acid

Systemtic Name: 2-[methyl-(2,4,6-trimethylphenyl)carbamoyl]sulfanylethanoic acid Openeye Name: 2-[methyl-(2,4,6-trimethylphenyl)carbamoyl]sulfanylacetic acid CAS Name: 2-[[oxo-(N,2,4,6-tetramethylanilino)methyl]thio]acetic acid IUPAC Name: 2-[methyl-(2,4,6-trimethylphenyl)carbamoyl]sulfanylacetic acid Traditional Name: 2-[[mesityl(methyl)carbamoyl]thio]acetic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N(C)C(=O)SCC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N(C)C(=O)SCC(=O)O)C

InChI

InChI=1S/C13H17NO3S/c1-8-5-9(2)12(10(3)6-8)14(4)13(17)18-7-11(15)16/h5-6H,7H2,1-4H3,(H,15,16)