2-[3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2-(3-methyl-1-adamantyl)ethanoate

Systemtic Name: 2-[3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2-(3-methyl-1-adamantyl)ethanoate Openeye Name: 2-[3-[2-(4-bromophenyl)-2-oxo-ethyl]-4-methyl-thiazol-3-ium-5-yl]ethyl 2-(3-methyl-1-adamantyl)acetate CAS Name: 2-(3-methyl-1-adamantyl)acetic acid 2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-5-thiazol-3-iumyl]ethyl ester IUPAC Name: 2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2-(3-methyl-1-adamantyl)acetate Traditional Name: 2-(3-methyl-1-adamantyl)acetic acid 2-[3-[2-(4-bromophenyl)-2-keto-ethyl]-4-methyl-thiazol-3-ium-5-yl]ethyl ester Formula: C27H33BrNO3S+ MolecularWeight: 531.52482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C2=CC=C(C=C2)Br)CCOC(=O)CC34CC5CC(C3)CC(C5)(C4)C

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C2=CC=C(C=C2)Br)CCOC(=O)CC34CC5CC(C3)CC(C5)(C4)C

InChI

InChI=1S/C27H33BrNO3S/c1-18-24(33-17-29(18)15-23(30)21-3-5-22(28)6-4-21)7-8-32-25(31)14-27-12-19-9-20(13-27)11-26(2,10-19)16-27/h3-6,17,19-20H,7-16H2,1-2H3/q+1