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

Systemtic Name: 2-[2-(heptanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 2-[2-(heptanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 2-[[2-(1-oxoheptylamino)phenyl]thio]butanoic acid IUPAC Name: 2-[2-(heptanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 2-[[2-(enanthylamino)phenyl]thio]butyric acid Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3S/c1-3-5-6-7-12-16(19)18-13-10-8-9-11-15(13)22-14(4-2)17(20)21/h8-11,14H,3-7,12H2,1-2H3,(H,18,19)(H,20,21)