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

Systemtic Name: propan-2-yl 4-[2-[5-[(3S)-1,2-dithiolan-3-yl]pentanoyloxy]ethanoylamino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C20H27NO5S2 MolecularWeight: 425.56208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5S2/c1-14(2)26-20(24)15-7-9-16(10-8-15)21-18(22)13-25-19(23)6-4-3-5-17-11-12-27-28-17/h7-10,14,17H,3-6,11-13H2,1-2H3,(H,21,22)/t17-/m0/s1