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

Systemtic Name: 2-[2-(heptanoylamino)phenyl]sulfanylpropanoic acid Openeye Name: 2-[2-(heptanoylamino)phenyl]sulfanylpropanoic acid CAS Name: 2-[[2-(1-oxoheptylamino)phenyl]thio]propanoic acid IUPAC Name: 2-[2-(heptanoylamino)phenyl]sulfanylpropanoic acid Traditional Name: 2-[[2-(enanthylamino)phenyl]thio]propionic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=CC=CC=C1SC(C)C(=O)O

Isomeric SMILES

CCCCCCC(=O)NC1=CC=CC=C1SC(C)C(=O)O

InChI

InChI=1S/C16H23NO3S/c1-3-4-5-6-11-15(18)17-13-9-7-8-10-14(13)21-12(2)16(19)20/h7-10,12H,3-6,11H2,1-2H3,(H,17,18)(H,19,20)