2-benzo[b][1]benzoxepin-5-ylsulfanyl-N-ethyl-N-methyl-ethanamine; ethanedioic acid

Systemtic Name: 2-benzo[b][1]benzoxepin-5-ylsulfanyl-N-ethyl-N-methyl-ethanamine; ethanedioic acid Openeye Name: 2-benzo[b][1]benzoxepin-5-ylsulfanyl-N-ethyl-N-methyl-ethanamine; oxalic acid CAS Name: 2-(5-benzo[b][1]benzoxepinylthio)-N-ethyl-N-methylethanamine; oxalic acid IUPAC Name: 2-benzo[b][1]benzoxepin-5-ylsulfanyl-N-ethyl-N-methylethanamine; oxalic acid Traditional Name: 2-(benzo[b][1]benzoxepin-5-ylthio)ethyl-ethyl-methyl-amine; oxalic acid Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)CCSC1=CC2=CC=CC=C2OC3=CC=CC=C31.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(C)CCSC1=CC2=CC=CC=C2OC3=CC=CC=C31.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21NOS.C2H2O4/c1-3-20(2)12-13-22-19-14-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)19;3-1(4)2(5)6/h4-11,14H,3,12-13H2,1-2H3;(H,3,4)(H,5,6)