(2S)-1-(1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)-3-ethanoyl-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-1-(1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)-3-ethanoyl-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-1-(1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-1-(1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-1-(1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-1-(1,3-benzothiazol-2-yl)-5-(2,4-dimethoxyphenyl)-2-keto-3-pyrrolin-3-olate Formula: C21H17N2O5S- MolecularWeight: 409.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=C(C=C(C=C2)OC)OC)C3=NC4=CC=CC=C4S3)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@H]1C2=C(C=C(C=C2)OC)OC)C3=NC4=CC=CC=C4S3)[O-]

InChI

InChI=1S/C21H18N2O5S/c1-11(24)17-18(13-9-8-12(27-2)10-15(13)28-3)23(20(26)19(17)25)21-22-14-6-4-5-7-16(14)29-21/h4-10,18,25H,1-3H3/p-1/t18-/m0/s1