2-(2-butylsulfanylethanoylamino)-5-methyl-benzoic acid

Systemtic Name: 2-(2-butylsulfanylethanoylamino)-5-methyl-benzoic acid Openeye Name: 2-[(2-butylsulfanylacetyl)amino]-5-methyl-benzoic acid CAS Name: 2-[[2-(butylthio)-1-oxoethyl]amino]-5-methylbenzoic acid IUPAC Name: 2-[(2-butylsulfanylacetyl)amino]-5-methylbenzoic acid Traditional Name: 2-[[2-(butylthio)acetyl]amino]-5-methyl-benzoic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)NC1=C(C=C(C=C1)C)C(=O)O

Isomeric SMILES

CCCCSCC(=O)NC1=C(C=C(C=C1)C)C(=O)O

InChI

InChI=1S/C14H19NO3S/c1-3-4-7-19-9-13(16)15-12-6-5-10(2)8-11(12)14(17)18/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,16)(H,17,18)