3-(1,3-benzodioxol-5-yl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-5-thiophen-3-yl-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-5-thiophen-3-yl-1,2-oxazole-4-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-5-(3-thienyl)isoxazole-4-carboxamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(2R)-1-methyl-2-pyrrolidinyl]ethyl]-5-(3-thiophenyl)-4-isoxazolecarboxamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-5-thiophen-3-yl-1,2-oxazole-4-carboxamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-5-(3-thienyl)isoxazole-4-carboxamide Formula: C22H23N3O4S MolecularWeight: 425.50072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CCNC(=O)C2=C(ON=C2C3=CC4=C(C=C3)OCO4)C5=CSC=C5

Isomeric SMILES

CN1CCC[C@@H]1CCNC(=O)C2=C(ON=C2C3=CC4=C(C=C3)OCO4)C5=CSC=C5

InChI

InChI=1S/C22H23N3O4S/c1-25-9-2-3-16(25)6-8-23-22(26)19-20(24-29-21(19)15-7-10-30-12-15)14-4-5-17-18(11-14)28-13-27-17/h4-5,7,10-12,16H,2-3,6,8-9,13H2,1H3,(H,23,26)/t16-/m1/s1