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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)NCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCSCC(=O)NCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C14H19NO3S/c1-2-3-8-19-10-13(16)15-9-11-4-6-12(7-5-11)14(17)18/h4-7H,2-3,8-10H2,1H3,(H,15,16)(H,17,18)