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

Systemtic Name: methyl 4-[2-[5-[(3S)-1,2-dithiolan-3-yl]pentanoyloxy]ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H23NO5S2 MolecularWeight: 397.50892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5S2/c1-23-18(22)13-6-8-14(9-7-13)19-16(20)12-24-17(21)5-3-2-4-15-10-11-25-26-15/h6-9,15H,2-5,10-12H2,1H3,(H,19,20)/t15-/m0/s1