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

Systemtic Name: 3-[2-(3-oxidanidyl-3-oxidanylidene-propyl)-5-thiophen-2-yl-pyrrol-1-yl]benzoate Openeye Name: 3-[2-(3-oxido-3-oxo-propyl)-5-(2-thienyl)pyrrol-1-yl]benzoate CAS Name: 3-[2-(3-oxido-3-oxopropyl)-5-thiophen-2-yl-1-pyrrolyl]benzoate IUPAC Name: 3-[2-(3-oxido-3-oxopropyl)-5-thiophen-2-ylpyrrol-1-yl]benzoate Traditional Name: 3-[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=CC(=CC(=C1)N2C(=CC=C2C3=CC=CS3)CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=CC=C2C3=CC=CS3)CCC(=O)[O-])C(=O)[O-]

InChI

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