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

Systemtic Name: (2S,4R)-1-[(2-hydroxyphenyl)methyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-4-pyridin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-1-[(2-hydroxyphenyl)methyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-4-(2-pyridylsulfanyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-1-[(2-hydroxyphenyl)methyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-4-(2-pyridinylthio)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-1-[(2-hydroxyphenyl)methyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-4-pyridin-2-ylsulfanylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-(2-methyl-1,3-benzothiazol-5-yl)-4-(2-pyridylthio)-1-salicyl-pyrrolidin-1-ium-2-carboxamide Formula: C25H25N4O2S2+ MolecularWeight: 477.6216

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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=C4O)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=C4O)SC5=CC=CC=N5

InChI

InChI=1S/C25H24N4O2S2/c1-16-27-20-12-18(9-10-23(20)32-16)28-25(31)21-13-19(33-24-8-4-5-11-26-24)15-29(21)14-17-6-2-3-7-22(17)30/h2-12,19,21,30H,13-15H2,1H3,(H,28,31)/p+1/t19-,21+/m1/s1