2-(3-chloranylbenzo[b][1]benzoxepin-5-yl)sulfanyl-N,N-dimethyl-ethanamine; ethanedioic acid

Systemtic Name: 2-(3-chloranylbenzo[b][1]benzoxepin-5-yl)sulfanyl-N,N-dimethyl-ethanamine; ethanedioic acid Openeye Name: 2-(3-chlorobenzo[b][1]benzoxepin-5-yl)sulfanyl-N,N-dimethyl-ethanamine; oxalic acid CAS Name: 2-[(3-chloro-5-benzo[b][1]benzoxepinyl)thio]-N,N-dimethylethanamine; oxalic acid IUPAC Name: 2-(3-chlorobenzo[b][1]benzoxepin-5-yl)sulfanyl-N,N-dimethylethanamine; oxalic acid Traditional Name: 2-[(3-chlorobenzo[b][1]benzoxepin-5-yl)thio]ethyl-dimethyl-amine; oxalic acid Formula: C20H20ClNO5S MolecularWeight: 421.8945

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCSC1=CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H18ClNOS.C2H2O4/c1-20(2)9-10-22-18-11-13-5-3-4-6-16(13)21-17-8-7-14(19)12-15(17)18;3-1(4)2(5)6/h3-8,11-12H,9-10H2,1-2H3;(H,3,4)(H,5,6)