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

Systemtic Name: 2-[2-(heptanoylamino)phenyl]sulfanylpentanoic acid Openeye Name: 2-[2-(heptanoylamino)phenyl]sulfanylpentanoic acid CAS Name: 2-[[2-(1-oxoheptylamino)phenyl]thio]pentanoic acid IUPAC Name: 2-[2-(heptanoylamino)phenyl]sulfanylpentanoic acid Traditional Name: 2-[[2-(enanthylamino)phenyl]thio]valeric acid Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO3S/c1-3-5-6-7-13-17(20)19-14-11-8-9-12-15(14)23-16(10-4-2)18(21)22/h8-9,11-12,16H,3-7,10,13H2,1-2H3,(H,19,20)(H,21,22)