N-[2-(5-bromanylthiophen-2-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[2-(5-bromanylthiophen-2-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[2-(5-bromo-2-thienyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[2-(5-bromo-2-thiophenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[2-(5-bromothiophen-2-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[2-(5-bromo-2-thienyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C16H16BrNO3S MolecularWeight: 382.27214

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NCCC3=CC=C(S3)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NCCC3=CC=C(S3)Br)OC1

InChI

InChI=1S/C16H16BrNO3S/c17-15-5-3-12(22-15)6-7-18-16(19)11-2-4-13-14(10-11)21-9-1-8-20-13/h2-5,10H,1,6-9H2,(H,18,19)