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

Systemtic Name: N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[2-(3-thienylmethylsulfanyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[2-(3-thiophenylmethylthio)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[2-(3-thenylthio)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C17H19NO3S2 MolecularWeight: 349.46766

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NCCSCC3=CSC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NCCSCC3=CSC=C3)OC1

InChI

InChI=1S/C17H19NO3S2/c19-17(18-5-9-23-12-13-4-8-22-11-13)14-2-3-15-16(10-14)21-7-1-6-20-15/h2-4,8,10-11H,1,5-7,9,12H2,(H,18,19)