(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CS4)OC1

InChI

InChI=1S/C17H14N2O5S/c20-17(11-4-5-12-13(9-11)22-7-2-6-21-12)23-10-15-18-16(19-24-15)14-3-1-8-25-14/h1,3-5,8-9H,2,6-7,10H2