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

Systemtic Name: 2-[1-(4-morpholin-4-ylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 2-[1-(4-morpholinophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoic acid CAS Name: 2-[[1-[4-(4-morpholinyl)phenyl]-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid IUPAC Name: 2-[1-(4-morpholin-4-ylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid Traditional Name: 2-[[2,5-diketo-1-(4-morpholinophenyl)pyrrolidin-3-yl]thio]benzoic acid Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H20N2O5S/c24-19-13-18(29-17-4-2-1-3-16(17)21(26)27)20(25)23(19)15-7-5-14(6-8-15)22-9-11-28-12-10-22/h1-8,18H,9-13H2,(H,26,27)