5-methyl-2-(2-propan-2-ylsulfanylethanoylamino)benzoic acid

Systemtic Name: 5-methyl-2-(2-propan-2-ylsulfanylethanoylamino)benzoic acid Openeye Name: 2-[(2-isopropylsulfanylacetyl)amino]-5-methyl-benzoic acid CAS Name: 5-methyl-2-[[1-oxo-2-(propan-2-ylthio)ethyl]amino]benzoic acid IUPAC Name: 5-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]benzoic acid Traditional Name: 2-[[2-(isopropylthio)acetyl]amino]-5-methyl-benzoic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC(C)C)C(=O)O

InChI

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