3-(2-butylsulfanylethanoylamino)-4-methyl-benzoic acid

Systemtic Name: 3-(2-butylsulfanylethanoylamino)-4-methyl-benzoic acid Openeye Name: 3-[(2-butylsulfanylacetyl)amino]-4-methyl-benzoic acid CAS Name: 3-[[2-(butylthio)-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(2-butylsulfanylacetyl)amino]-4-methylbenzoic acid Traditional Name: 3-[[2-(butylthio)acetyl]amino]-4-methyl-benzoic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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