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

Systemtic Name: 4-[2,5-bis(oxidanylidene)-1-propyl-pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 4-(2,5-dioxo-1-propyl-pyrrolidin-3-yl)sulfanylbenzoic acid CAS Name: 4-[(2,5-dioxo-1-propyl-3-pyrrolidinyl)thio]benzoic acid IUPAC Name: 4-(2,5-dioxo-1-propylpyrrolidin-3-yl)sulfanylbenzoic acid Traditional Name: 4-[(2,5-diketo-1-propyl-pyrrolidin-3-yl)thio]benzoic acid Formula: C14H15NO4S MolecularWeight: 293.3382

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)CC(C1=O)SC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCN1C(=O)CC(C1=O)SC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H15NO4S/c1-2-7-15-12(16)8-11(13(15)17)20-10-5-3-9(4-6-10)14(18)19/h3-6,11H,2,7-8H2,1H3,(H,18,19)