2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-(2-thenyl)acetamide Formula: C17H18ClNO3S2 MolecularWeight: 383.91272

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSCC(=O)NCC3=CC=CS3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSCC(=O)NCC3=CC=CS3)Cl)OC1

InChI

InChI=1S/C17H18ClNO3S2/c18-14-7-12(8-15-17(14)22-5-2-4-21-15)10-23-11-16(20)19-9-13-3-1-6-24-13/h1,3,6-8H,2,4-5,9-11H2,(H,19,20)