(2S,4R)-N-(2-methyl-1,3-benzothiazol-5-yl)-1-[(4-methylsulfanylphenyl)methyl]-4-pyridin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-N-(2-methyl-1,3-benzothiazol-5-yl)-1-[(4-methylsulfanylphenyl)methyl]-4-pyridin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-(2-methyl-1,3-benzothiazol-5-yl)-1-[(4-methylsulfanylphenyl)methyl]-4-(2-pyridylsulfanyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-(2-methyl-1,3-benzothiazol-5-yl)-1-[[4-(methylthio)phenyl]methyl]-4-(2-pyridinylthio)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-(2-methyl-1,3-benzothiazol-5-yl)-1-[(4-methylsulfanylphenyl)methyl]-4-pyridin-2-ylsulfanylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-(2-methyl-1,3-benzothiazol-5-yl)-1-[4-(methylthio)benzyl]-4-(2-pyridylthio)pyrrolidin-1-ium-2-carboxamide Formula: C26H27N4OS3+ MolecularWeight: 507.71378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)NC(=O)C3CC(C[NH+]3CC4=CC=C(C=C4)SC)SC5=CC=CC=N5

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)NC(=O)[C@@H]3C[C@H](C[NH+]3CC4=CC=C(C=C4)SC)SC5=CC=CC=N5

InChI

InChI=1S/C26H26N4OS3/c1-17-28-22-13-19(8-11-24(22)33-17)29-26(31)23-14-21(34-25-5-3-4-12-27-25)16-30(23)15-18-6-9-20(32-2)10-7-18/h3-13,21,23H,14-16H2,1-2H3,(H,29,31)/p+1/t21-,23+/m1/s1