1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: 1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl ester IUPAC Name: 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid 1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C18H15ClN2O5S MolecularWeight: 406.8401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=CS2)OC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC(C1=NN=C(O1)C2=CC=CS2)OC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C18H15ClN2O5S/c1-10(16-20-21-17(26-16)14-4-2-7-27-14)25-18(22)11-8-12(19)15-13(9-11)23-5-3-6-24-15/h2,4,7-10H,3,5-6H2,1H3