(2S)-2-(4-tert-butylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(furan-2-ylcarbonyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-2-(4-tert-butylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(furan-2-ylcarbonyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-2-(4-tert-butylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-2-(4-tert-butylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[2-furanyl(oxo)methyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-2-(4-tert-butylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-5-(4-tert-butylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-furoyl)-2-keto-3-pyrrolin-3-olate Formula: C28H25N2O5S- MolecularWeight: 501.5735

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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)C

Isomeric SMILES

CCOC1=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)C

InChI

InChI=1S/C28H26N2O5S/c1-5-34-18-12-13-19-21(15-18)36-27(29-19)30-23(16-8-10-17(11-9-16)28(2,3)4)22(25(32)26(30)33)24(31)20-7-6-14-35-20/h6-15,23,32H,5H2,1-4H3/p-1/t23-/m0/s1