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

Systemtic Name: 2-[2-(heptanoylamino)phenyl]sulfanylethanoic acid Openeye Name: 2-[2-(heptanoylamino)phenyl]sulfanylacetic acid CAS Name: 2-[[2-(1-oxoheptylamino)phenyl]thio]acetic acid IUPAC Name: 2-[2-(heptanoylamino)phenyl]sulfanylacetic acid Traditional Name: 2-[[2-(enanthylamino)phenyl]thio]acetic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=CC=CC=C1SCC(=O)O

Isomeric SMILES

CCCCCCC(=O)NC1=CC=CC=C1SCC(=O)O

InChI

InChI=1S/C15H21NO3S/c1-2-3-4-5-10-14(17)16-12-8-6-7-9-13(12)20-11-15(18)19/h6-9H,2-5,10-11H2,1H3,(H,16,17)(H,18,19)