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

Systemtic Name: (2S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-(furan-2-ylcarbonyl)-5-oxidanylidene-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-olate Openeye Name: (2S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-2-(4-isopropylphenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-[2-furanyl(oxo)methyl]-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-olate IUPAC Name: (2S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-olate Traditional Name: (5S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-(2-furoyl)-2-keto-5-p-cumenyl-3-pyrrolin-3-olate Formula: C27H23N2O4S- MolecularWeight: 471.54752

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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)C(C)C

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)C(C)C

InChI

InChI=1S/C27H24N2O4S/c1-4-16-7-12-19-21(14-16)34-27(28-19)29-23(18-10-8-17(9-11-18)15(2)3)22(25(31)26(29)32)24(30)20-6-5-13-33-20/h5-15,23,31H,4H2,1-3H3/p-1/t23-/m0/s1