1-(furan-2-ylmethyl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-(furan-2-ylmethyl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-(2-furylmethyl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(2-furanylmethyl)-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-(furan-2-ylmethyl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-(2-furfuryl)-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-5-keto-pyrrolidine-3-carboxamide Formula: C24H25N3O3S2 MolecularWeight: 467.6036

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC(=O)N(C3)CC4=CC=CO4

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC(=O)N(C3)CC4=CC=CO4

InChI

InChI=1S/C24H25N3O3S2/c1-2-3-4-5-6-12-31-24-26-20-10-9-18(14-21(20)32-24)25-23(29)17-13-22(28)27(15-17)16-19-8-7-11-30-19/h7-11,14,17H,2-3,6,12-13,15-16H2,1H3,(H,25,29)