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

Systemtic Name: (2S)-1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-3-ethanoyl-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-1-(1,3-benzothiazol-2-yl)-5-(2-chlorophenyl)-2-keto-3-pyrrolin-3-olate Formula: C19H12ClN2O3S- MolecularWeight: 383.82818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2Cl)C3=NC4=CC=CC=C4S3)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@@H]1C2=CC=CC=C2Cl)C3=NC4=CC=CC=C4S3)[O-]

InChI

InChI=1S/C19H13ClN2O3S/c1-10(23)15-16(11-6-2-3-7-12(11)20)22(18(25)17(15)24)19-21-13-8-4-5-9-14(13)26-19/h2-9,16,24H,1H3/p-1/t16-/m1/s1