(2S)-2-(3-bromophenyl)-1-(3-imidazol-1-ylpropyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2S)-2-(3-bromophenyl)-1-(3-imidazol-1-ylpropyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-2-(3-bromophenyl)-1-(3-imidazol-1-ylpropyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-2-(3-bromophenyl)-1-[3-(1-imidazolyl)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-2-(3-bromophenyl)-1-(3-imidazol-1-ylpropyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-5-(3-bromophenyl)-1-(3-imidazol-1-ylpropyl)-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C21H17BrN3O3S- MolecularWeight: 471.34698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2C(=C(C(=O)N2CCCN3C=CN=C3)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)Br)[C@H]2C(=C(C(=O)N2CCCN3C=CN=C3)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C21H18BrN3O3S/c22-15-5-1-4-14(12-15)18-17(19(26)16-6-2-11-29-16)20(27)21(28)25(18)9-3-8-24-10-7-23-13-24/h1-2,4-7,10-13,18,27H,3,8-9H2/p-1/t18-/m0/s1