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

Systemtic Name: (3S,4R)-1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylphenoxy)-4-thiophen-2-yl-azetidin-2-one Openeye Name: (3S,4R)-1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylphenoxy)-4-(2-thienyl)azetidin-2-one CAS Name: (3S,4R)-1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylphenoxy)-4-thiophen-2-yl-2-azetidinone IUPAC Name: (3S,4R)-1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylphenoxy)-4-thiophen-2-ylazetidin-2-one Traditional Name: (3S,4R)-3-(2-methylphenoxy)-1-piperonyl-4-(2-thienyl)azetidin-2-one Formula: C22H19NO4S MolecularWeight: 393.45556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2C(N(C2=O)CC3=CC4=C(C=C3)OCO4)C5=CC=CS5

Isomeric SMILES

CC1=CC=CC=C1O[C@H]2[C@@H](N(C2=O)CC3=CC4=C(C=C3)OCO4)C5=CC=CS5

InChI

InChI=1S/C22H19NO4S/c1-14-5-2-3-6-16(14)27-21-20(19-7-4-10-28-19)23(22(21)24)12-15-8-9-17-18(11-15)26-13-25-17/h2-11,20-21H,12-13H2,1H3/t20-,21-/m0/s1