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

Systemtic Name: N-(furan-2-ylmethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-furylmethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-furanylmethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(2-furfuryl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C22H21N3O4S4 MolecularWeight: 519.67984

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H21N3O4S4/c1-30-16-8-9-17-19(13-16)32-22(23-17)24(14-15-5-3-11-29-15)21(26)18-6-2-10-25(18)33(27,28)20-7-4-12-31-20/h3-5,7-9,11-13,18H,2,6,10,14H2,1H3