1-[(2-methoxyphenyl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-[(2-methoxyphenyl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-[(2-methoxyphenyl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-[(2-methoxyphenyl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-[(2-methoxyphenyl)methyl]-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-o-anisyl-pyrrolidine-3-carboxamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1CN2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H21N3O5S2/c1-29-17-6-4-3-5-13(17)11-24-12-14(9-19(24)25)20(26)23-21-22-16-8-7-15(31(2,27)28)10-18(16)30-21/h3-8,10,14H,9,11-12H2,1-2H3,(H,22,23,26)