2-[3-(prop-2-enoxysulfanylcarbonylamino)phenyl]ethanoic acid

Systemtic Name: 2-[3-(prop-2-enoxysulfanylcarbonylamino)phenyl]ethanoic acid Openeye Name: 2-[3-(allyloxysulfanylcarbonylamino)phenyl]acetic acid CAS Name: 2-[3-[[oxo-(prop-2-enoxythio)methyl]amino]phenyl]acetic acid IUPAC Name: 2-[3-(prop-2-enoxysulfanylcarbonylamino)phenyl]acetic acid Traditional Name: 2-[3-[(allyloxythio)carbonylamino]phenyl]acetic acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4S/c1-2-6-17-18-12(16)13-10-5-3-4-9(7-10)8-11(14)15/h2-5,7H,1,6,8H2,(H,13,16)(H,14,15)