(2S)-2-(4-bromophenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-(furan-2-ylcarbonyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-2-(4-bromophenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-(furan-2-ylcarbonyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-2-(4-bromophenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-2-(4-bromophenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-[2-furanyl(oxo)methyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-2-(4-bromophenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-5-(4-bromophenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-(2-furoyl)-2-keto-3-pyrrolin-3-olate Formula: C24H16BrN2O4S- MolecularWeight: 508.36384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)[O-])C(=O)C4=CC=CO4)C5=CC=C(C=C5)Br

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3[C@H](C(=C(C3=O)[O-])C(=O)C4=CC=CO4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C24H17BrN2O4S/c1-2-13-5-10-16-18(12-13)32-24(26-16)27-20(14-6-8-15(25)9-7-14)19(22(29)23(27)30)21(28)17-4-3-11-31-17/h3-12,20,29H,2H2,1H3/p-1/t20-/m0/s1