(E)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(3-bromophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(3-bromophenyl)prop-2-en-1-one Openeye Name: (E)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(3-bromophenyl)prop-2-en-1-one CAS Name: (E)-1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-(3-bromophenyl)-2-propen-1-one IUPAC Name: (E)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(3-bromophenyl)prop-2-en-1-one Traditional Name: (E)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-3-(3-bromophenyl)prop-2-en-1-one Formula: C20H17BrN2OS MolecularWeight: 413.33078

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C=CC2=CC(=CC=C2)Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2OS/c21-15-6-3-5-14(13-15)10-11-19(24)23-12-4-8-17(23)20-22-16-7-1-2-9-18(16)25-20/h1-3,5-7,9-11,13,17H,4,8,12H2/b11-10+