(2R)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2R)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2R)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2R)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2R)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C18H17N3O2S3 MolecularWeight: 403.54148

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3C(=O)C4=CC=CS4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)[C@H]3CCCN3C(=O)C4=CC=CS4

InChI

InChI=1S/C18H17N3O2S3/c1-24-18-20-12-7-6-11(10-15(12)26-18)19-16(22)13-4-2-8-21(13)17(23)14-5-3-9-25-14/h3,5-7,9-10,13H,2,4,8H2,1H3,(H,19,22)/t13-/m1/s1