(3S,4S)-1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methylthiophen-2-yl)-3-phenoxy-azetidin-2-one

Systemtic Name: (3S,4S)-1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methylthiophen-2-yl)-3-phenoxy-azetidin-2-one Openeye Name: (3S,4S)-1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-2-thienyl)-3-phenoxy-azetidin-2-one CAS Name: (3S,4S)-1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-2-thiophenyl)-3-phenoxy-2-azetidinone IUPAC Name: (3S,4S)-1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methylthiophen-2-yl)-3-phenoxyazetidin-2-one Traditional Name: (3S,4S)-4-(3-methyl-2-thienyl)-3-phenoxy-1-piperonyl-azetidin-2-one Formula: C22H19NO4S MolecularWeight: 393.45556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(=O)N2CC3=CC4=C(C=C3)OCO4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC=C1)[C@@H]2[C@@H](C(=O)N2CC3=CC4=C(C=C3)OCO4)OC5=CC=CC=C5

InChI

InChI=1S/C22H19NO4S/c1-14-9-10-28-21(14)19-20(27-16-5-3-2-4-6-16)22(24)23(19)12-15-7-8-17-18(11-15)26-13-25-17/h2-11,19-20H,12-13H2,1H3/t19-,20-/m0/s1