1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(3-fluoranyl-4-methoxy-phenyl)ethanone

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(3-fluoranyl-4-methoxy-phenyl)ethanone Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(3-fluoro-4-methoxy-phenyl)ethanone CAS Name: 1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-2-(3-fluoro-4-methoxyphenyl)ethanone IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-2-(3-fluoro-4-methoxy-phenyl)ethanone Formula: C20H19FN2O2S MolecularWeight: 370.440463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCCC2C3=NC4=CC=CC=C4S3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCCC2C3=NC4=CC=CC=C4S3)F

InChI

InChI=1S/C20H19FN2O2S/c1-25-17-9-8-13(11-14(17)21)12-19(24)23-10-4-6-16(23)20-22-15-5-2-3-7-18(15)26-20/h2-3,5,7-9,11,16H,4,6,10,12H2,1H3