2-[1-(4-morpholin-4-ylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[1-(4-morpholin-4-ylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[1-(4-morpholinophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[1-[4-(4-morpholinyl)phenyl]-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(4-morpholin-4-ylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2,5-diketo-1-(4-morpholinophenyl)pyrrolidin-3-yl]thio]nicotinic acid Formula: C20H19N3O5S MolecularWeight: 413.44696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=C(C=CC=N4)C(=O)O

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=C(C=CC=N4)C(=O)O

InChI

InChI=1S/C20H19N3O5S/c24-17-12-16(29-18-15(20(26)27)2-1-7-21-18)19(25)23(17)14-5-3-13(4-6-14)22-8-10-28-11-9-22/h1-7,16H,8-12H2,(H,26,27)