N-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-5-bromanyl-furan-2-carboxamide

Systemtic Name: N-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-5-bromanyl-furan-2-carboxamide Openeye Name: N-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxo-ethyl]-5-bromo-furan-2-carboxamide CAS Name: N-[2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-2-oxoethyl]-5-bromo-2-furancarboxamide IUPAC Name: N-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-5-bromofuran-2-carboxamide Traditional Name: N-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-2-keto-ethyl]-5-bromo-2-furamide Formula: C18H16BrN3O3S MolecularWeight: 434.30694

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC(=O)C2=CC=C(O2)Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)CNC(=O)C2=CC=C(O2)Br)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H16BrN3O3S/c19-15-8-7-13(25-15)17(24)20-10-16(23)22-9-3-5-12(22)18-21-11-4-1-2-6-14(11)26-18/h1-2,4,6-8,12H,3,5,9-10H2,(H,20,24)/t12-/m1/s1