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

Systemtic Name: (2S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-(furan-2-ylcarbonyl)-2-(2-methoxyphenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-2-(2-methoxyphenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-[2-furanyl(oxo)methyl]-2-(2-methoxyphenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-2-(2-methoxyphenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-(2-furoyl)-2-keto-5-(2-methoxyphenyl)-3-pyrrolin-3-olate Formula: C25H19N2O5S- MolecularWeight: 459.49376

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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=CC=C5OC

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=CC=C5OC

InChI

InChI=1S/C25H20N2O5S/c1-3-14-10-11-16-19(13-14)33-25(26-16)27-21(15-7-4-5-8-17(15)31-2)20(23(29)24(27)30)22(28)18-9-6-12-32-18/h4-13,21,29H,3H2,1-2H3/p-1/t21-/m0/s1