4-methyl-3-(2-propan-2-ylsulfanylethanoylamino)benzoic acid

Systemtic Name: 4-methyl-3-(2-propan-2-ylsulfanylethanoylamino)benzoic acid Openeye Name: 3-[(2-isopropylsulfanylacetyl)amino]-4-methyl-benzoic acid CAS Name: 4-methyl-3-[[1-oxo-2-(propan-2-ylthio)ethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(2-propan-2-ylsulfanylacetyl)amino]benzoic acid Traditional Name: 3-[[2-(isopropylthio)acetyl]amino]-4-methyl-benzoic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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