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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CCCCC2CCSS2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CCCC[C@H]2CCSS2

InChI

InChI=1S/C19H25NO5S2/c1-13-7-8-14(19(23)24-2)11-16(13)20-17(21)12-25-18(22)6-4-3-5-15-9-10-26-27-15/h7-8,11,15H,3-6,9-10,12H2,1-2H3,(H,20,21)/t15-/m0/s1