ethyl N-(2-methyl-1-thianthren-5-ium-5-yl-butan-2-yl)ethanimidate

Systemtic Name: ethyl N-(2-methyl-1-thianthren-5-ium-5-yl-butan-2-yl)ethanimidate Openeye Name: ethyl N-[1-methyl-1-(thianthren-5-ium-5-ylmethyl)propyl]ethanimidate CAS Name: N-[2-methyl-1-(5-thianthren-5-iumyl)butan-2-yl]ethanimidic acid ethyl ester IUPAC Name: ethyl N-(2-methyl-1-thianthren-5-ium-5-ylbutan-2-yl)ethanimidate Traditional Name: N-[1-methyl-1-(thianthren-5-ium-5-ylmethyl)propyl]acetimidic acid ethyl ester Formula: C21H26NOS2+ MolecularWeight: 372.56724

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C[S+]1C2=CC=CC=C2SC3=CC=CC=C31)N=C(C)OCC

Isomeric SMILES

CCC(C)(C[S+]1C2=CC=CC=C2SC3=CC=CC=C31)N=C(C)OCC

InChI

InChI=1S/C21H26NOS2/c1-5-21(4,22-16(3)23-6-2)15-25-19-13-9-7-11-17(19)24-18-12-8-10-14-20(18)25/h7-14H,5-6,15H2,1-4H3/q+1