1-(2,2-dimethylpropanoyl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(2,2-dimethylpropanoyl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide Openeye Name: 1-(2,2-dimethylpropanoyl)-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide CAS Name: 1-(2,2-dimethyl-1-oxopropyl)-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2,2-dimethylpropanoyl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide Traditional Name: 1-pivaloyl-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide Formula: C23H27N3O2S3 MolecularWeight: 473.67438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCCC1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4

Isomeric SMILES

CC(C)(C)C(=O)N1CCCC1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4

InChI

InChI=1S/C23H27N3O2S3/c1-23(2,3)21(28)26-10-4-5-18(26)20(27)24-16-6-7-17-19(13-16)31-22(25-17)30-12-9-15-8-11-29-14-15/h6-8,11,13-14,18H,4-5,9-10,12H2,1-3H3,(H,24,27)