1-(4-methylsulfanylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-methylsulfanylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-(4-methylsulfanylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-methylsulfanylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 5-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C20H19N3O4S3 MolecularWeight: 461.57756

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C20H19N3O4S3/c1-28-14-5-3-13(4-6-14)23-11-12(9-18(23)24)19(25)22-20-21-16-8-7-15(30(2,26)27)10-17(16)29-20/h3-8,10,12H,9,11H2,1-2H3,(H,21,22,25)