2-[2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenoxy]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenoxy]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]phenoxy]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenoxy]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenoxy]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[2-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]phenoxy]-1-pyrrolidino-ethanone Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC2=CC=CC=C2C=CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)C(=O)COC2=CC=CC=C2/C=C/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N2O2S/c24-21(23-13-5-6-14-23)15-25-18-9-3-1-7-16(18)11-12-20-22-17-8-2-4-10-19(17)26-20/h1-4,7-12H,5-6,13-15H2/b12-11+