N-(furan-2-ylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-furylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-furanylmethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(2-furfuryl)-N-[4-(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=CC=CC2=C1N=C(S2)N(CC3=CC=CO3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N(CC3=CC=CO3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H21N3O4S4/c1-30-17-8-2-9-18-20(17)23-22(32-18)24(14-15-6-4-12-29-15)21(26)16-7-3-11-25(16)33(27,28)19-10-5-13-31-19/h2,4-6,8-10,12-13,16H,3,7,11,14H2,1H3