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

Systemtic Name: 2-benzo[b][1]benzoxepin-5-ylsulfanyl-N-(cyclopropylmethyl)-N-methyl-ethanamine; ethanedioic acid Openeye Name: 2-benzo[b][1]benzoxepin-5-ylsulfanyl-N-(cyclopropylmethyl)-N-methyl-ethanamine; oxalic acid CAS Name: 2-(5-benzo[b][1]benzoxepinylthio)-N-(cyclopropylmethyl)-N-methylethanamine; oxalic acid IUPAC Name: 2-benzo[b][1]benzoxepin-5-ylsulfanyl-N-(cyclopropylmethyl)-N-methylethanamine; oxalic acid Traditional Name: 2-(benzo[b][1]benzoxepin-5-ylthio)ethyl-(cyclopropylmethyl)-methyl-amine; oxalic acid Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCSC1=CC2=CC=CC=C2OC3=CC=CC=C31)CC4CC4.C(=O)(C(=O)O)O

Isomeric SMILES

CN(CCSC1=CC2=CC=CC=C2OC3=CC=CC=C31)CC4CC4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H23NOS.C2H2O4/c1-22(15-16-10-11-16)12-13-24-21-14-17-6-2-4-8-19(17)23-20-9-5-3-7-18(20)21;3-1(4)2(5)6/h2-9,14,16H,10-13,15H2,1H3;(H,3,4)(H,5,6)