2-[5-(1,2-dithiolan-3-yl)pentanoylamino]benzoic acid

Systemtic Name: 2-[5-(1,2-dithiolan-3-yl)pentanoylamino]benzoic acid Openeye Name: 2-[5-(dithiolan-3-yl)pentanoylamino]benzoic acid CAS Name: 2-[[5-(3-dithiolanyl)-1-oxopentyl]amino]benzoic acid IUPAC Name: 2-[5-(dithiolan-3-yl)pentanoylamino]benzoic acid Traditional Name: 2-[5-(dithiolan-3-yl)pentanoylamino]benzoic acid Formula: C15H19NO3S2 MolecularWeight: 325.44626

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CSSC1CCCCC(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H19NO3S2/c17-14(8-4-1-5-11-9-10-20-21-11)16-13-7-3-2-6-12(13)15(18)19/h2-3,6-7,11H,1,4-5,8-10H2,(H,16,17)(H,18,19)