N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-bromanyl-2-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-bromanyl-2-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-bromo-2-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-bromo-2-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-bromo-2-methyl-phenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2CC(CC2=O)C(=O)NCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2CC(CC2=O)C(=O)NCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20BrN3O2S/c1-13-10-15(22)6-7-17(13)25-12-14(11-20(25)26)21(27)23-9-8-19-24-16-4-2-3-5-18(16)28-19/h2-7,10,14H,8-9,11-12H2,1H3,(H,23,27)