2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(3-cyanothiophen-2-yl)ethanamide

Systemtic Name: 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(3-cyanothiophen-2-yl)ethanamide Openeye Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(3-cyano-2-thienyl)acetamide CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(3-cyano-2-thiophenyl)acetamide IUPAC Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(3-cyano-2-thienyl)acetamide Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CC(=O)NC3=C(C=CS3)C#N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CC(=O)NC3=C(C=CS3)C#N)Cl)OC1

InChI

InChI=1S/C16H13ClN2O3S/c17-12-6-10(7-13-15(12)22-4-1-3-21-13)8-14(20)19-16-11(9-18)2-5-23-16/h2,5-7H,1,3-4,8H2,(H,19,20)