3-(2-butylsulfanylethanoylamino)benzoic acid

Systemtic Name: 3-(2-butylsulfanylethanoylamino)benzoic acid Openeye Name: 3-[(2-butylsulfanylacetyl)amino]benzoic acid CAS Name: 3-[[2-(butylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[(2-butylsulfanylacetyl)amino]benzoic acid Traditional Name: 3-[[2-(butylthio)acetyl]amino]benzoic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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