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

Systemtic Name: (2S)-1-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-3-ethanoyl-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-1-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-1-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-1-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-1-(1,3-benzothiazol-2-yl)-5-(4-bromophenyl)-2-keto-3-pyrrolin-3-olate Formula: C19H12BrN2O3S- MolecularWeight: 428.27918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13BrN2O3S/c1-10(23)15-16(11-6-8-12(20)9-7-11)22(18(25)17(15)24)19-21-13-4-2-3-5-14(13)26-19/h2-9,16,24H,1H3/p-1/t16-/m0/s1