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

Systemtic Name: methyl 5-[5-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-2-phenylazanyl-1,3-thiazol-3-ium-3-yl]pentanoate Openeye Name: methyl 5-[2-anilino-5-[2-(4-bromoanilino)-2-oxo-ethyl]-4-oxo-thiazol-3-ium-3-yl]pentanoate CAS Name: 5-[2-anilino-5-[2-(4-bromoanilino)-2-oxoethyl]-4-oxo-3-thiazol-3-iumyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[2-anilino-5-[2-(4-bromoanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-3-ium-3-yl]pentanoate Traditional Name: 5-[2-anilino-5-[2-(4-bromoanilino)-2-keto-ethyl]-4-keto-2-thiazolin-3-ium-3-yl]valeric acid methyl ester Formula: C23H25BrN3O4S+ MolecularWeight: 519.4313

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC[N+]1=C(SC(C1=O)CC(=O)NC2=CC=C(C=C2)Br)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCC[N+]1=C(SC(C1=O)CC(=O)NC2=CC=C(C=C2)Br)NC3=CC=CC=C3

InChI

InChI=1S/C23H24BrN3O4S/c1-31-21(29)9-5-6-14-27-22(30)19(32-23(27)26-17-7-3-2-4-8-17)15-20(28)25-18-12-10-16(24)11-13-18/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3,(H,25,28)/p+1