3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[[2-(2-thienyl)oxazol-4-yl]methyl]propanamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(2-thiophen-2-yl-4-oxazolyl)methyl]propanamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[[2-(2-thienyl)oxazol-4-yl]methyl]propionamide Formula: C20H21N3O6S2 MolecularWeight: 463.52724

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NCC3=COC(=N3)C4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NCC3=COC(=N3)C4=CC=CS4)OC1

InChI

InChI=1S/C20H21N3O6S2/c24-19(21-12-14-13-29-20(23-14)18-3-1-10-30-18)6-7-22-31(25,26)15-4-5-16-17(11-15)28-9-2-8-27-16/h1,3-5,10-11,13,22H,2,6-9,12H2,(H,21,24)