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

Systemtic Name: (2S,4R)-N-(2-methyl-1,3-benzothiazol-5-yl)-1-[(5-methylthiophen-2-yl)methyl]-4-pyridin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-(2-methyl-1,3-benzothiazol-5-yl)-1-[(5-methyl-2-thienyl)methyl]-4-(2-pyridylsulfanyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-(2-methyl-1,3-benzothiazol-5-yl)-1-[(5-methyl-2-thiophenyl)methyl]-4-(2-pyridinylthio)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-(2-methyl-1,3-benzothiazol-5-yl)-1-[(5-methylthiophen-2-yl)methyl]-4-pyridin-2-ylsulfanylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-(2-methyl-1,3-benzothiazol-5-yl)-1-[(5-methyl-2-thienyl)methyl]-4-(2-pyridylthio)pyrrolidin-1-ium-2-carboxamide Formula: C24H25N4OS3+ MolecularWeight: 481.6765

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CC(CC2C(=O)NC3=CC4=C(C=C3)SC(=N4)C)SC5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2C[C@@H](C[C@H]2C(=O)NC3=CC4=C(C=C3)SC(=N4)C)SC5=CC=CC=N5

InChI

InChI=1S/C24H24N4OS3/c1-15-6-8-18(30-15)13-28-14-19(32-23-5-3-4-10-25-23)12-21(28)24(29)27-17-7-9-22-20(11-17)26-16(2)31-22/h3-11,19,21H,12-14H2,1-2H3,(H,27,29)/p+1/t19-,21+/m1/s1