methyl 4-[[4-(4-bromophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzoate

Systemtic Name: methyl 4-[[4-(4-bromophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzoate Openeye Name: methyl 4-[[2-allylimino-4-(4-bromophenyl)thiazol-3-yl]iminomethyl]benzoate CAS Name: 4-[[4-(4-bromophenyl)-2-prop-2-enylimino-3-thiazolyl]iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-bromophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzoate Traditional Name: 4-[[2-allylimino-4-(4-bromophenyl)-4-thiazolin-3-yl]iminomethyl]benzoic acid methyl ester Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NN2C(=CSC2=NCC=C)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C=NN2C(=CSC2=NCC=C)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H18BrN3O2S/c1-3-12-23-21-25(19(14-28-21)16-8-10-18(22)11-9-16)24-13-15-4-6-17(7-5-15)20(26)27-2/h3-11,13-14H,1,12H2,2H3