5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-thienylmethyl)pyrazol-3-yl]isoxazole-3-carboxamide CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(thiophen-2-ylmethyl)-3-pyrazolyl]-3-isoxazolecarboxamide IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-thenyl)pyrazol-3-yl]isoxazole-3-carboxamide Formula: C20H16N4O4S MolecularWeight: 408.43044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=CC(=NO3)C(=O)NC4=CC=NN4CC5=CC=CS5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=CC(=NO3)C(=O)NC4=CC=NN4CC5=CC=CS5

InChI

InChI=1S/C20H16N4O4S/c25-20(22-19-5-6-21-24(19)12-14-2-1-9-29-14)15-11-17(28-23-15)13-3-4-16-18(10-13)27-8-7-26-16/h1-6,9-11H,7-8,12H2,(H,22,25)