methyl 6-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbothioylamino]hexanoate

Systemtic Name: methyl 6-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbothioyl]amino]hexanoate CAS Name: 6-[[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbothioyl]amino]hexanoate Traditional Name: 6-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbothioyl]amino]hexanoic acid methyl ester Formula: C19H25N3O2S2 MolecularWeight: 391.5507

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N1CCCC1C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)CCCCCNC(=S)N1CCC[C@@H]1C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H25N3O2S2/c1-24-17(23)11-3-2-6-12-20-19(25)22-13-7-9-15(22)18-21-14-8-4-5-10-16(14)26-18/h4-5,8,10,15H,2-3,6-7,9,11-13H2,1H3,(H,20,25)/t15-/m1/s1