4-[2-(3-oxidanidyl-3-oxidanylidene-propyl)-5-thiophen-2-yl-pyrrol-1-yl]benzoate

Systemtic Name: 4-[2-(3-oxidanidyl-3-oxidanylidene-propyl)-5-thiophen-2-yl-pyrrol-1-yl]benzoate Openeye Name: 4-[2-(3-oxido-3-oxo-propyl)-5-(2-thienyl)pyrrol-1-yl]benzoate CAS Name: 4-[2-(3-oxido-3-oxopropyl)-5-thiophen-2-yl-1-pyrrolyl]benzoate IUPAC Name: 4-[2-(3-oxido-3-oxopropyl)-5-thiophen-2-ylpyrrol-1-yl]benzoate Traditional Name: 4-[2-(3-keto-3-oxido-propyl)-5-(2-thienyl)pyrrol-1-yl]benzoate Formula: C18H13NO4S-2 MolecularWeight: 339.36512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC=C(N2C3=CC=C(C=C3)C(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=CC=C(N2C3=CC=C(C=C3)C(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C18H15NO4S/c20-17(21)10-8-14-7-9-15(16-2-1-11-24-16)19(14)13-5-3-12(4-6-13)18(22)23/h1-7,9,11H,8,10H2,(H,20,21)(H,22,23)/p-2