(2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-1-(3-imidazol-1-ylpropyl)-5-oxidanylidene-2-pyridin-3-yl-2H-pyrrol-4-olate

Systemtic Name: (2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-1-(3-imidazol-1-ylpropyl)-5-oxidanylidene-2-pyridin-3-yl-2H-pyrrol-4-olate Openeye Name: (2S)-3-(2,4-dimethylthiazole-5-carbonyl)-1-(3-imidazol-1-ylpropyl)-5-oxo-2-(3-pyridyl)-2H-pyrrol-4-olate CAS Name: (2S)-3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-1-[3-(1-imidazolyl)propyl]-5-oxo-2-(3-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: (2S)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-imidazol-1-ylpropyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate Traditional Name: (5S)-4-(2,4-dimethylthiazole-5-carbonyl)-1-(3-imidazol-1-ylpropyl)-2-keto-5-(3-pyridyl)-3-pyrrolin-3-olate Formula: C21H20N5O3S- MolecularWeight: 422.4802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CN=CC=C3)CCCN4C=CN=C4)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N([C@H]2C3=CN=CC=C3)CCCN4C=CN=C4)[O-]

InChI

InChI=1S/C21H21N5O3S/c1-13-20(30-14(2)24-13)18(27)16-17(15-5-3-6-22-11-15)26(21(29)19(16)28)9-4-8-25-10-7-23-12-25/h3,5-7,10-12,17,28H,4,8-9H2,1-2H3/p-1/t17-/m0/s1