N-(3-chloranyl-4-cyano-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C18H15ClN2O3S MolecularWeight: 374.8413

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)C#N)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)C#N)Cl)OC1

InChI

InChI=1S/C18H15ClN2O3S/c19-15-8-13(3-2-12(15)10-20)21-18(22)11-25-14-4-5-16-17(9-14)24-7-1-6-23-16/h2-5,8-9H,1,6-7,11H2,(H,21,22)