propan-2-yl N-(2-methyl-3-thianthren-5-ium-5-yl-butan-2-yl)ethanimidate

Systemtic Name: propan-2-yl N-(2-methyl-3-thianthren-5-ium-5-yl-butan-2-yl)ethanimidate Openeye Name: isopropyl N-(1,1-dimethyl-2-thianthren-5-ium-5-yl-propyl)ethanimidate CAS Name: N-[2-methyl-3-(5-thianthren-5-iumyl)butan-2-yl]ethanimidic acid propan-2-yl ester IUPAC Name: propan-2-yl N-(2-methyl-3-thianthren-5-ium-5-ylbutan-2-yl)ethanimidate Traditional Name: N-(1,1-dimethyl-2-thianthren-5-ium-5-yl-propyl)acetimidic acid isopropyl ester Formula: C22H28NOS2+ MolecularWeight: 386.59382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=NC(C)(C)C(C)[S+]1C2=CC=CC=C2SC3=CC=CC=C31)C

Isomeric SMILES

CC(C)OC(=NC(C)(C)C(C)[S+]1C2=CC=CC=C2SC3=CC=CC=C31)C

InChI

InChI=1S/C22H28NOS2/c1-15(2)24-17(4)23-22(5,6)16(3)26-20-13-9-7-11-18(20)25-19-12-8-10-14-21(19)26/h7-16H,1-6H3/q+1