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

Systemtic Name: 2-[1-(2-cyanophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 2-[1-(2-cyanophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoic acid CAS Name: 2-[[1-(2-cyanophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid IUPAC Name: 2-[1-(2-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid Traditional Name: 2-[[1-(2-cyanophenyl)-2,5-diketo-pyrrolidin-3-yl]thio]benzoic acid Formula: C18H12N2O4S MolecularWeight: 352.36388

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=CC=C2C#N)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=CC=C2C#N)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H12N2O4S/c19-10-11-5-1-3-7-13(11)20-16(21)9-15(17(20)22)25-14-8-4-2-6-12(14)18(23)24/h1-8,15H,9H2,(H,23,24)