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

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C17H17N3O3S4 MolecularWeight: 439.59518

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H17N3O3S4/c1-24-17-19-12-7-6-11(10-14(12)26-17)18-16(21)13-4-2-8-20(13)27(22,23)15-5-3-9-25-15/h3,5-7,9-10,13H,2,4,8H2,1H3,(H,18,21)