1-(2-methoxy-5-methyl-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-(2-methoxy-5-methyl-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-(2-methoxy-5-methyl-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(2-methoxy-5-methylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-(2-methoxy-5-methylphenyl)-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-(2-methoxy-5-methyl-phenyl)pyrrolidine-3-carboxamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H21N3O5S2/c1-12-4-7-17(29-2)16(8-12)24-11-13(9-19(24)25)20(26)23-21-22-15-6-5-14(31(3,27)28)10-18(15)30-21/h4-8,10,13H,9,11H2,1-3H3,(H,22,23,26)