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

Systemtic Name: 2-[3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2,2-diphenylethanoate Openeye Name: 2-[3-[2-(4-bromophenyl)-2-oxo-ethyl]-4-methyl-thiazol-3-ium-5-yl]ethyl 2,2-diphenylacetate CAS Name: 2,2-diphenylacetic 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 2,2-diphenylacetate Traditional Name: 2,2-diphenylacetic acid 2-[3-[2-(4-bromophenyl)-2-keto-ethyl]-4-methyl-thiazol-3-ium-5-yl]ethyl ester Formula: C28H25BrNO3S+ MolecularWeight: 535.472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25BrNO3S/c1-20-26(34-19-30(20)18-25(31)21-12-14-24(29)15-13-21)16-17-33-28(32)27(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,19,27H,16-18H2,1H3/q+1