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

Systemtic Name: (2S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-(furan-2-ylcarbonyl)-5-oxidanylidene-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-4-olate Openeye Name: (2S)-2-(4-allyloxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-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-prop-2-enoxyphenyl)-2H-pyrrol-4-olate IUPAC Name: (2S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-5-oxo-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-4-olate Traditional Name: (5S)-5-(4-allyloxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-(2-furoyl)-2-keto-3-pyrrolin-3-olate Formula: C27H21N2O5S- MolecularWeight: 485.53104

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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)OCC=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)OCC=C

InChI

InChI=1S/C27H22N2O5S/c1-3-13-33-18-10-8-17(9-11-18)23-22(24(30)20-6-5-14-34-20)25(31)26(32)29(23)27-28-19-12-7-16(4-2)15-21(19)35-27/h3,5-12,14-15,23,31H,1,4,13H2,2H3/p-1/t23-/m0/s1