1-(2,2-dimethylpropanoyl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide

Systemtic Name: 1-(2,2-dimethylpropanoyl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide Openeye Name: 1-(2,2-dimethylpropanoyl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide CAS Name: 1-(2,2-dimethyl-1-oxopropyl)-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2,2-dimethylpropanoyl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-1-pivaloyl-pyrrolidine-2-carboxamide Formula: C24H31N3O2S2 MolecularWeight: 457.65184

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3C(=O)C(C)(C)C

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3C(=O)C(C)(C)C

InChI

InChI=1S/C24H31N3O2S2/c1-5-6-7-8-9-15-30-23-26-18-13-12-17(16-20(18)31-23)25-21(28)19-11-10-14-27(19)22(29)24(2,3)4/h12-13,16,19H,5-6,9-11,14-15H2,1-4H3,(H,25,28)