2-[2-(heptanoylamino)phenyl]sulfanyl-2-methyl-propanoic acid

Systemtic Name: 2-[2-(heptanoylamino)phenyl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[2-(heptanoylamino)phenyl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-methyl-2-[[2-(1-oxoheptylamino)phenyl]thio]propanoic acid IUPAC Name: 2-[2-(heptanoylamino)phenyl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[2-(enanthylamino)phenyl]thio]-2-methyl-propionic acid Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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