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

Systemtic Name: 5-methoxy-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: 5-methoxy-N-[2-(3-thienylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 5-methoxy-N-[2-(3-thiophenylmethylthio)ethyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 5-methoxy-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: 5-methoxy-N-[2-(3-thenylthio)ethyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C17H19NO4S2 MolecularWeight: 365.46706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)NCCSCC3=CSC=C3

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)NCCSCC3=CSC=C3

InChI

InChI=1S/C17H19NO4S2/c1-20-14-8-13(9-15-16(14)22-5-4-21-15)17(19)18-3-7-24-11-12-2-6-23-10-12/h2,6,8-10H,3-5,7,11H2,1H3,(H,18,19)