[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate

Systemtic Name: [2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate Openeye Name: [2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl] 5-[(3S)-dithiolan-3-yl]pentanoate CAS Name: 5-[(3S)-3-dithiolanyl]pentanoic acid [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-[(3S)-dithiolan-3-yl]pentanoate Traditional Name: 5-[(3S)-dithiolan-3-yl]valeric acid [2-keto-2-(o-anisylamino)ethyl] ester Formula: C18H25NO4S2 MolecularWeight: 383.5254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)COC(=O)CCCCC2CCSS2

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)COC(=O)CCCC[C@H]2CCSS2

InChI

InChI=1S/C18H25NO4S2/c1-22-16-8-4-2-6-14(16)12-19-17(20)13-23-18(21)9-5-3-7-15-10-11-24-25-15/h2,4,6,8,15H,3,5,7,9-13H2,1H3,(H,19,20)/t15-/m0/s1