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

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C24H25N3O2S3 MolecularWeight: 483.6692

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3C(=O)C4=CC=CS4

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3C(=O)C4=CC=CS4

InChI

InChI=1S/C24H25N3O2S3/c1-2-3-4-5-6-14-31-24-26-18-12-11-17(16-21(18)32-24)25-22(28)19-9-7-13-27(19)23(29)20-10-8-15-30-20/h8,10-12,15-16,19H,2-3,6-7,9,13-14H2,1H3,(H,25,28)