3-[4-(5-octyl-1,3-thiazol-2-yl)phenyl]-1-[(2S,3S)-3-oxidanylpyrrolidin-2-yl]propan-1-one

Systemtic Name: 3-[4-(5-octyl-1,3-thiazol-2-yl)phenyl]-1-[(2S,3S)-3-oxidanylpyrrolidin-2-yl]propan-1-one Openeye Name: 1-[(2S,3S)-3-hydroxypyrrolidin-2-yl]-3-[4-(5-octylthiazol-2-yl)phenyl]propan-1-one CAS Name: 1-[(2S,3S)-3-hydroxy-2-pyrrolidinyl]-3-[4-(5-octyl-2-thiazolyl)phenyl]-1-propanone IUPAC Name: 1-[(2S,3S)-3-hydroxypyrrolidin-2-yl]-3-[4-(5-octyl-1,3-thiazol-2-yl)phenyl]propan-1-one Traditional Name: 1-[(2S,3S)-3-hydroxypyrrolidin-2-yl]-3-[4-(5-octylthiazol-2-yl)phenyl]propan-1-one Formula: C24H34N2O2S MolecularWeight: 414.60396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(S1)C2=CC=C(C=C2)CCC(=O)C3C(CCN3)O

Isomeric SMILES

CCCCCCCCC1=CN=C(S1)C2=CC=C(C=C2)CCC(=O)[C@@H]3[C@H](CCN3)O

InChI

InChI=1S/C24H34N2O2S/c1-2-3-4-5-6-7-8-20-17-26-24(29-20)19-12-9-18(10-13-19)11-14-21(27)23-22(28)15-16-25-23/h9-10,12-13,17,22-23,25,28H,2-8,11,14-16H2,1H3/t22-,23+/m0/s1