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

Systemtic Name: (3S,4S)-1-(1,3-benzodioxol-5-ylmethyl)-3-phenoxy-4-thiophen-2-yl-azetidin-2-one Openeye Name: (3S,4S)-1-(1,3-benzodioxol-5-ylmethyl)-3-phenoxy-4-(2-thienyl)azetidin-2-one CAS Name: (3S,4S)-1-(1,3-benzodioxol-5-ylmethyl)-3-phenoxy-4-thiophen-2-yl-2-azetidinone IUPAC Name: (3S,4S)-1-(1,3-benzodioxol-5-ylmethyl)-3-phenoxy-4-thiophen-2-ylazetidin-2-one Traditional Name: (3S,4S)-3-phenoxy-1-piperonyl-4-(2-thienyl)azetidin-2-one Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(C(C3=O)OC4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3[C@@H]([C@@H](C3=O)OC4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C21H17NO4S/c23-21-20(26-15-5-2-1-3-6-15)19(18-7-4-10-27-18)22(21)12-14-8-9-16-17(11-14)25-13-24-16/h1-11,19-20H,12-13H2/t19-,20+/m1/s1