2-[methyl(2-propan-2-ylsulfanylethanoyl)amino]benzoic acid

Systemtic Name: 2-[methyl(2-propan-2-ylsulfanylethanoyl)amino]benzoic acid Openeye Name: 2-[(2-isopropylsulfanylacetyl)-methyl-amino]benzoic acid CAS Name: 2-[methyl-[1-oxo-2-(propan-2-ylthio)ethyl]amino]benzoic acid IUPAC Name: 2-[methyl-(2-propan-2-ylsulfanylacetyl)amino]benzoic acid Traditional Name: 2-[[2-(isopropylthio)acetyl]-methyl-amino]benzoic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC(=O)N(C)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C)SCC(=O)N(C)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C13H17NO3S/c1-9(2)18-8-12(15)14(3)11-7-5-4-6-10(11)13(16)17/h4-7,9H,8H2,1-3H3,(H,16,17)