3-benzo[b][1]benzoxepin-5-ylsulfanyl-N,N-dimethyl-propan-1-amine; ethanedioic acid

Systemtic Name: 3-benzo[b][1]benzoxepin-5-ylsulfanyl-N,N-dimethyl-propan-1-amine; ethanedioic acid Openeye Name: 3-benzo[b][1]benzoxepin-5-ylsulfanyl-N,N-dimethyl-propan-1-amine; oxalic acid CAS Name: 3-(5-benzo[b][1]benzoxepinylthio)-N,N-dimethyl-1-propanamine; oxalic acid IUPAC Name: 3-benzo[b][1]benzoxepin-5-ylsulfanyl-N,N-dimethylpropan-1-amine; oxalic acid Traditional Name: 3-(benzo[b][1]benzoxepin-5-ylthio)propyl-dimethyl-amine; oxalic acid Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCSC1=CC2=CC=CC=C2OC3=CC=CC=C31.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCCSC1=CC2=CC=CC=C2OC3=CC=CC=C31.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21NOS.C2H2O4/c1-20(2)12-7-13-22-19-14-15-8-3-5-10-17(15)21-18-11-6-4-9-16(18)19;3-1(4)2(5)6/h3-6,8-11,14H,7,12-13H2,1-2H3;(H,3,4)(H,5,6)