4-[2-(2-butylsulfanylethanoylamino)ethyl]benzoic acid

Systemtic Name: 4-[2-(2-butylsulfanylethanoylamino)ethyl]benzoic acid Openeye Name: 4-[2-[(2-butylsulfanylacetyl)amino]ethyl]benzoic acid CAS Name: 4-[2-[[2-(butylthio)-1-oxoethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[(2-butylsulfanylacetyl)amino]ethyl]benzoic acid Traditional Name: 4-[2-[[2-(butylthio)acetyl]amino]ethyl]benzoic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)NCCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCSCC(=O)NCCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H21NO3S/c1-2-3-10-20-11-14(17)16-9-8-12-4-6-13(7-5-12)15(18)19/h4-7H,2-3,8-11H2,1H3,(H,16,17)(H,18,19)