2-[2-(cyclohexylcarbonylamino)phenyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-(cyclohexylcarbonylamino)phenyl]sulfanylpropanoic acid Openeye Name: 2-[2-(cyclohexanecarbonylamino)phenyl]sulfanylpropanoic acid CAS Name: 2-[[2-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]propanoic acid IUPAC Name: 2-[2-(cyclohexanecarbonylamino)phenyl]sulfanylpropanoic acid Traditional Name: 2-[[2-(cyclohexanecarbonylamino)phenyl]thio]propionic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=CC=CC=C1NC(=O)C2CCCCC2

Isomeric SMILES

CC(C(=O)O)SC1=CC=CC=C1NC(=O)C2CCCCC2

InChI

InChI=1S/C16H21NO3S/c1-11(16(19)20)21-14-10-6-5-9-13(14)17-15(18)12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H,17,18)(H,19,20)