N-(1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-[(2-oxo-1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-[(2-ketopyrrolidino)methyl]-3,5-dimethoxy-benzamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N(CN2CCCC2=O)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N(CN2CCCC2=O)C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C21H21N3O4S/c1-27-15-10-14(11-16(12-15)28-2)20(26)24(13-23-9-5-8-19(23)25)21-22-17-6-3-4-7-18(17)29-21/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3