1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(4-ethanoylphenoxy)ethanone

Systemtic Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(4-ethanoylphenoxy)ethanone Openeye Name: 2-(4-acetylphenoxy)-1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanone CAS Name: 2-(4-acetylphenoxy)-1-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(4-acetylphenoxy)-1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(4-acetylphenoxy)-1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]ethanone Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N2O3S/c1-14(24)15-8-10-16(11-9-15)26-13-20(25)23-12-4-6-18(23)21-22-17-5-2-3-7-19(17)27-21/h2-3,5,7-11,18H,4,6,12-13H2,1H3/t18-/m0/s1