2-[3-butyl-2-(sulfanylcarbonylamino)phenyl]ethanoic acid

Systemtic Name: 2-[3-butyl-2-(sulfanylcarbonylamino)phenyl]ethanoic acid Openeye Name: 2-[3-butyl-2-(sulfanylcarbonylamino)phenyl]acetic acid CAS Name: 2-[3-butyl-2-[[mercapto(oxo)methyl]amino]phenyl]acetic acid IUPAC Name: 2-[3-butyl-2-(sulfanylcarbonylamino)phenyl]acetic acid Traditional Name: 2-[3-butyl-2-(thiocarboxyamino)phenyl]acetic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1NC(=O)S)CC(=O)O

Isomeric SMILES

CCCCC1=CC=CC(=C1NC(=O)S)CC(=O)O

InChI

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