(2S,4R)-4-(4-methoxyphenyl)sulfanyl-N-(2-methyl-1,3-benzothiazol-5-yl)-1-propan-2-yl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-4-(4-methoxyphenyl)sulfanyl-N-(2-methyl-1,3-benzothiazol-5-yl)-1-propan-2-yl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-1-isopropyl-4-(4-methoxyphenyl)sulfanyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-[(4-methoxyphenyl)thio]-N-(2-methyl-1,3-benzothiazol-5-yl)-1-propan-2-yl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-(4-methoxyphenyl)sulfanyl-N-(2-methyl-1,3-benzothiazol-5-yl)-1-propan-2-ylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-1-isopropyl-4-[(4-methoxyphenyl)thio]-N-(2-methyl-1,3-benzothiazol-5-yl)pyrrolidin-1-ium-2-carboxamide Formula: C23H28N3O2S2+ MolecularWeight: 442.61732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)NC(=O)C3CC(C[NH+]3C(C)C)SC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)NC(=O)[C@@H]3C[C@H](C[NH+]3C(C)C)SC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H27N3O2S2/c1-14(2)26-13-19(30-18-8-6-17(28-4)7-9-18)12-21(26)23(27)25-16-5-10-22-20(11-16)24-15(3)29-22/h5-11,14,19,21H,12-13H2,1-4H3,(H,25,27)/p+1/t19-,21+/m1/s1