methyl 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbothioyl]amino]butyric acid methyl ester Formula: C17H21N3O2S2 MolecularWeight: 363.49754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2S2/c1-22-15(21)9-4-10-18-17(23)20-11-5-7-13(20)16-19-12-6-2-3-8-14(12)24-16/h2-3,6,8,13H,4-5,7,9-11H2,1H3,(H,18,23)/t13-/m1/s1