[1-[3-(diethylazaniumyl)propyl]-4,5-bis(oxidanylidene)-2-thiophen-2-yl-pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate

Systemtic Name: [1-[3-(diethylazaniumyl)propyl]-4,5-bis(oxidanylidene)-2-thiophen-2-yl-pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: [1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(2-thienyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: [1-[3-(diethylammonio)propyl]-4,5-dioxo-2-thiophen-2-yl-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: [1-[3-(diethylazaniumyl)propyl]-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: [1-[3-(diethylammonio)propyl]-4,5-diketo-2-(2-thienyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(C(=C(C2=CC=NC=C2)[O-])C(=O)C1=O)C3=CC=CS3

Isomeric SMILES

CC[NH+](CC)CCCN1C(C(=C(C2=CC=NC=C2)[O-])C(=O)C1=O)C3=CC=CS3

InChI

InChI=1S/C21H25N3O3S/c1-3-23(4-2)12-6-13-24-18(16-7-5-14-28-16)17(20(26)21(24)27)19(25)15-8-10-22-11-9-15/h5,7-11,14,18,25H,3-4,6,12-13H2,1-2H3