(2S)-1-[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-2-ethyl-hexan-1-one

Systemtic Name: (2S)-1-[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-2-ethyl-hexan-1-one Openeye Name: (2S)-1-[(2R)-2-(1,3-benzodioxol-5-yl)thiazolidin-3-yl]-2-ethyl-hexan-1-one CAS Name: (2S)-1-[(2R)-2-(1,3-benzodioxol-5-yl)-3-thiazolidinyl]-2-ethyl-1-hexanone IUPAC Name: (2S)-1-[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one Traditional Name: (2S)-1-[(2R)-2-(1,3-benzodioxol-5-yl)thiazolidin-3-yl]-2-ethyl-hexan-1-one Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCSC1C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCC[C@H](CC)C(=O)N1CCS[C@@H]1C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H25NO3S/c1-3-5-6-13(4-2)17(20)19-9-10-23-18(19)14-7-8-15-16(11-14)22-12-21-15/h7-8,11,13,18H,3-6,9-10,12H2,1-2H3/t13-,18+/m0/s1