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

Systemtic Name: N,N-dimethyl-2-(3-methylsulfanylbenzo[b][1]benzoxepin-5-yl)sulfanyl-ethanamine; ethanedioic acid Openeye Name: N,N-dimethyl-2-(3-methylsulfanylbenzo[b][1]benzoxepin-5-yl)sulfanyl-ethanamine; oxalic acid CAS Name: N,N-dimethyl-2-[[3-(methylthio)-5-benzo[b][1]benzoxepinyl]thio]ethanamine; oxalic acid IUPAC Name: N,N-dimethyl-2-(3-methylsulfanylbenzo[b][1]benzoxepin-5-yl)sulfanylethanamine; oxalic acid Traditional Name: dimethyl-[2-[[3-(methylthio)benzo[b][1]benzoxepin-5-yl]thio]ethyl]amine; oxalic acid Formula: C21H23NO5S2 MolecularWeight: 433.54102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NOS2.C2H2O4/c1-20(2)10-11-23-19-12-14-6-4-5-7-17(14)21-18-9-8-15(22-3)13-16(18)19;3-1(4)2(5)6/h4-9,12-13H,10-11H2,1-3H3;(H,3,4)(H,5,6)