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

Systemtic Name: 2-[2,5-bis(oxidanylidene)-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 2-[2,5-dioxo-1-(tetrahydrofuran-2-ylmethyl)pyrrolidin-3-yl]sulfanylbenzoic acid CAS Name: 2-[[2,5-dioxo-1-(2-oxolanylmethyl)-3-pyrrolidinyl]thio]benzoic acid IUPAC Name: 2-[2,5-dioxo-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]sulfanylbenzoic acid Traditional Name: 2-[[2,5-diketo-1-(tetrahydrofurfuryl)pyrrolidin-3-yl]thio]benzoic acid Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CC(OC1)CN2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H17NO5S/c18-14-8-13(15(19)17(14)9-10-4-3-7-22-10)23-12-6-2-1-5-11(12)16(20)21/h1-2,5-6,10,13H,3-4,7-9H2,(H,20,21)