ethyl 2-[2-[5-[(3S)-1,2-dithiolan-3-yl]pentanoyloxy]ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[5-[(3S)-1,2-dithiolan-3-yl]pentanoyloxy]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[5-[(3S)-dithiolan-3-yl]pentanoyloxy]acetyl]amino]benzoate CAS Name: 2-[[2-[5-[(3S)-3-dithiolanyl]-1-oxopentoxy]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[5-[(3S)-dithiolan-3-yl]pentanoyloxy]acetyl]amino]benzoate Traditional Name: 2-[[2-[5-[(3S)-dithiolan-3-yl]pentanoyloxy]acetyl]amino]benzoic acid ethyl ester Formula: C19H25NO5S2 MolecularWeight: 411.5355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCCCC2CCSS2

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCCC[C@H]2CCSS2

InChI

InChI=1S/C19H25NO5S2/c1-2-24-19(23)15-8-4-5-9-16(15)20-17(21)13-25-18(22)10-6-3-7-14-11-12-26-27-14/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,20,21)/t14-/m0/s1