methyl (2S)-2-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)N1CCCC1C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)N1CCCC1C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H23N3O3S2/c1-24-17(22)13(9-11-25-2)20-18(23)21-10-5-7-14(21)16-19-12-6-3-4-8-15(12)26-16/h3-4,6,8,13-14H,5,7,9-11H2,1-2H3,(H,20,23)/t13-,14?/m0/s1