2-[1-(2-butoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[1-(2-butoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[1-(2-butoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[1-(2-butoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(2-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[1-(2-butoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]nicotinic acid Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

CCCCOC1=CC=CC=C1N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C20H20N2O5S/c1-2-3-11-27-15-9-5-4-8-14(15)22-17(23)12-16(19(22)24)28-18-13(20(25)26)7-6-10-21-18/h4-10,16H,2-3,11-12H2,1H3,(H,25,26)