2-[4-(2-butylsulfanylethanoylamino)phenyl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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