[(2S)-1-(3-imidazol-1-ylpropyl)-4,5-bis(oxidanylidene)-2-thiophen-2-yl-pyrrolidin-3-ylidene]-phenyl-methanolate

Systemtic Name: [(2S)-1-(3-imidazol-1-ylpropyl)-4,5-bis(oxidanylidene)-2-thiophen-2-yl-pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: [(2S)-1-(3-imidazol-1-ylpropyl)-4,5-dioxo-2-(2-thienyl)pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: [(2S)-1-[3-(1-imidazolyl)propyl]-4,5-dioxo-2-thiophen-2-yl-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: [(2S)-1-(3-imidazol-1-ylpropyl)-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: [(2S)-1-(3-imidazol-1-ylpropyl)-4,5-diketo-2-(2-thienyl)pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C21H18N3O3S- MolecularWeight: 392.45092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CS4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=C2[C@H](N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CS4)[O-]

InChI

InChI=1S/C21H19N3O3S/c25-19(15-6-2-1-3-7-15)17-18(16-8-4-13-28-16)24(21(27)20(17)26)11-5-10-23-12-9-22-14-23/h1-4,6-9,12-14,18,25H,5,10-11H2/p-1/t18-/m1/s1