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

Systemtic Name: (2S)-1-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-1-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-[3-(1-imidazolyl)propyl]-2-(4-methoxyphenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-1-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-1-(3-imidazol-1-ylpropyl)-2-keto-5-(4-methoxyphenyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C22H20N3O4S- MolecularWeight: 422.4769

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(=C(C(=O)N2CCCN3C=CN=C3)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2CCCN3C=CN=C3)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C22H21N3O4S/c1-29-16-7-5-15(6-8-16)19-18(20(26)17-4-2-13-30-17)21(27)22(28)25(19)11-3-10-24-12-9-23-14-24/h2,4-9,12-14,19,27H,3,10-11H2,1H3/p-1/t19-/m0/s1