1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-ethanoylphenoxy)butan-1-one

Systemtic Name: 1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-ethanoylphenoxy)butan-1-one Openeye Name: 4-(4-acetylphenoxy)-1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-1-one CAS Name: 4-(4-acetylphenoxy)-1-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-1-butanone IUPAC Name: 4-(4-acetylphenoxy)-1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-1-one Traditional Name: 4-(4-acetylphenoxy)-1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]butan-1-one Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O3S/c1-16(26)17-10-12-18(13-11-17)28-15-5-9-22(27)25-14-4-7-20(25)23-24-19-6-2-3-8-21(19)29-23/h2-3,6,8,10-13,20H,4-5,7,9,14-15H2,1H3/t20-/m1/s1