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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-[[2-(2-thienyl)oxazol-4-yl]methyl]butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-[(2-thiophen-2-yl-4-oxazolyl)methyl]butanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]butanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-N-[[2-(2-thienyl)oxazol-4-yl]methyl]butyramide Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S/c24-16(14-4-6-17-18(11-14)27-9-2-8-26-17)5-7-20(25)22-12-15-13-28-21(23-15)19-3-1-10-29-19/h1,3-4,6,10-11,13H,2,5,7-9,12H2,(H,22,25)