ethyl 4-[2-[5-[(3S)-1,2-dithiolan-3-yl]pentanoyloxy]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[5-[(3S)-1,2-dithiolan-3-yl]pentanoyloxy]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[5-[(3S)-dithiolan-3-yl]pentanoyloxy]acetyl]amino]benzoate CAS Name: 4-[[2-[5-[(3S)-3-dithiolanyl]-1-oxopentoxy]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[5-[(3S)-dithiolan-3-yl]pentanoyloxy]acetyl]amino]benzoate Traditional Name: 4-[[2-[5-[(3S)-dithiolan-3-yl]pentanoyloxy]acetyl]amino]benzoic acid ethyl ester Formula: C19H25NO5S2 MolecularWeight: 411.5355

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCCCC2CCSS2

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5S2/c1-2-24-19(23)14-7-9-15(10-8-14)20-17(21)13-25-18(22)6-4-3-5-16-11-12-26-27-16/h7-10,16H,2-6,11-13H2,1H3,(H,20,21)/t16-/m0/s1