2-[1-(2-morpholin-4-ylcarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid

Systemtic Name: 2-[1-(2-morpholin-4-ylcarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 2-[1-[2-(morpholine-4-carbonyl)phenyl]-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoic acid CAS Name: 2-[[1-[2-[4-morpholinyl(oxo)methyl]phenyl]-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid IUPAC Name: 2-[1-[2-(morpholine-4-carbonyl)phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid Traditional Name: 2-[[2,5-diketo-1-[2-(morpholine-4-carbonyl)phenyl]pyrrolidin-3-yl]thio]benzoic acid Formula: C22H20N2O6S MolecularWeight: 440.469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC=CC=C2N3C(=O)CC(C3=O)SC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1COCCN1C(=O)C2=CC=CC=C2N3C(=O)CC(C3=O)SC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H20N2O6S/c25-19-13-18(31-17-8-4-2-6-15(17)22(28)29)21(27)24(19)16-7-3-1-5-14(16)20(26)23-9-11-30-12-10-23/h1-8,18H,9-13H2,(H,28,29)