(2S)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1-(3-imidazol-1-ylpropyl)-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-4-olate

Systemtic Name: (2S)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1-(3-imidazol-1-ylpropyl)-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-4-olate Openeye Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-1-(3-imidazol-1-ylpropyl)-5-oxo-2-(2-thienyl)-2H-pyrrol-4-olate CAS Name: (2S)-3-[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]-1-[3-(1-imidazolyl)propyl]-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate IUPAC Name: (2S)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1-(3-imidazol-1-ylpropyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate Traditional Name: (5S)-4-[(E)-3-(2-furyl)acryloyl]-1-(3-imidazol-1-ylpropyl)-2-keto-5-(2-thienyl)-3-pyrrolin-3-olate Formula: C21H18N3O4S- MolecularWeight: 408.45032

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C=CC(=O)C2=C(C(=O)N(C2C3=CC=CS3)CCCN4C=CN=C4)[O-]

Isomeric SMILES

C1=COC(=C1)/C=C/C(=O)C2=C(C(=O)N([C@@H]2C3=CC=CS3)CCCN4C=CN=C4)[O-]

InChI

InChI=1S/C21H19N3O4S/c25-16(7-6-15-4-1-12-28-15)18-19(17-5-2-13-29-17)24(21(27)20(18)26)10-3-9-23-11-8-22-14-23/h1-2,4-8,11-14,19,26H,3,9-10H2/p-1/b7-6+/t19-/m1/s1