N-ethyl-N-methyl-2-(3-methylsulfinylbenzo[b][1]benzoxepin-5-yl)sulfanyl-ethanamine

Systemtic Name: N-ethyl-N-methyl-2-(3-methylsulfinylbenzo[b][1]benzoxepin-5-yl)sulfanyl-ethanamine Openeye Name: N-ethyl-N-methyl-2-(3-methylsulfinylbenzo[b][1]benzoxepin-5-yl)sulfanyl-ethanamine CAS Name: N-ethyl-N-methyl-2-[(3-methylsulfinyl-5-benzo[b][1]benzoxepinyl)thio]ethanamine IUPAC Name: N-ethyl-N-methyl-2-(3-methylsulfinylbenzo[b][1]benzoxepin-5-yl)sulfanylethanamine Traditional Name: ethyl-methyl-[2-[(3-methylsulfinylbenzo[b][1]benzoxepin-5-yl)thio]ethyl]amine Formula: C20H23NO2S2 MolecularWeight: 373.53212

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)CCSC1=CC2=CC=CC=C2OC3=C1C=C(C=C3)S(=O)C

Isomeric SMILES

CCN(C)CCSC1=CC2=CC=CC=C2OC3=C1C=C(C=C3)S(=O)C

InChI

InChI=1S/C20H23NO2S2/c1-4-21(2)11-12-24-20-13-15-7-5-6-8-18(15)23-19-10-9-16(25(3)22)14-17(19)20/h5-10,13-14H,4,11-12H2,1-3H3