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

Systemtic Name: 2-benzo[b][1]benzoxepin-5-ylsulfanyl-N-methyl-ethanamine; ethanedioic acid Openeye Name: 2-benzo[b][1]benzoxepin-5-ylsulfanyl-N-methyl-ethanamine; oxalic acid CAS Name: 2-(5-benzo[b][1]benzoxepinylthio)-N-methylethanamine; oxalic acid IUPAC Name: 2-benzo[b][1]benzoxepin-5-ylsulfanyl-N-methylethanamine; oxalic acid Traditional Name: 2-(benzo[b][1]benzoxepin-5-ylthio)ethyl-methyl-amine; oxalic acid Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CNCCSC1=CC2=CC=CC=C2OC3=CC=CC=C31.C(=O)(C(=O)O)O

Isomeric SMILES

CNCCSC1=CC2=CC=CC=C2OC3=CC=CC=C31.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H17NOS.C2H2O4/c1-18-10-11-20-17-12-13-6-2-4-8-15(13)19-16-9-5-3-7-14(16)17;3-1(4)2(5)6/h2-9,12,18H,10-11H2,1H3;(H,3,4)(H,5,6)