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

Systemtic Name: (2S,4R)-1-[(3-methoxyphenyl)methyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-4-pyridin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-1-[(3-methoxyphenyl)methyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-4-(2-pyridylsulfanyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-1-[(3-methoxyphenyl)methyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-4-(2-pyridinylthio)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-1-[(3-methoxyphenyl)methyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-4-pyridin-2-ylsulfanylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-1-m-anisyl-N-(2-methyl-1,3-benzothiazol-5-yl)-4-(2-pyridylthio)pyrrolidin-1-ium-2-carboxamide Formula: C26H27N4O2S2+ MolecularWeight: 491.64818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O2S2/c1-17-28-22-13-19(9-10-24(22)33-17)29-26(31)23-14-21(34-25-8-3-4-11-27-25)16-30(23)15-18-6-5-7-20(12-18)32-2/h3-13,21,23H,14-16H2,1-2H3,(H,29,31)/p+1/t21-,23+/m1/s1