N-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-thiophen-2-ylcarbonyl-amino]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-thiophen-2-ylcarbonyl-amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-(thiophene-2-carbonyl)amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-[oxo(thiophen-2-yl)methyl]amino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-(thiophene-2-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[2-(4-methoxyphenyl)ethyl-(2-thenoyl)amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C27H25N3O6S MolecularWeight: 519.5689

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN(CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5

Isomeric SMILES

COC1=CC=C(C=C1)CCN(CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5

InChI

InChI=1S/C27H25N3O6S/c1-33-20-7-4-18(5-8-20)10-11-30(27(32)25-3-2-12-37-25)16-21-14-22(29-36-21)26(31)28-15-19-6-9-23-24(13-19)35-17-34-23/h2-9,12-14H,10-11,15-17H2,1H3,(H,28,31)