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

Systemtic Name: (2S)-1-(3-imidazol-1-ylpropyl)-5-oxidanylidene-2-phenyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-1-(3-imidazol-1-ylpropyl)-5-oxo-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-[3-(1-imidazolyl)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-phenyl-2H-pyrrol-4-olate IUPAC Name: (2S)-1-(3-imidazol-1-ylpropyl)-5-oxo-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-1-(3-imidazol-1-ylpropyl)-2-keto-5-phenyl-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C21H18N3O3S- MolecularWeight: 392.45092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3S/c25-19(16-8-4-13-28-16)17-18(15-6-2-1-3-7-15)24(21(27)20(17)26)11-5-10-23-12-9-22-14-23/h1-4,6-9,12-14,18,26H,5,10-11H2/p-1/t18-/m0/s1