3-[3-(2-azanylethylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid

Systemtic Name: 3-[3-(2-azanylethylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid Openeye Name: 3-[3-(2-aminoethylsulfanyl)-2,5-dioxo-pyrrolidin-1-yl]benzoic acid CAS Name: 3-[3-(2-aminoethylthio)-2,5-dioxo-1-pyrrolidinyl]benzoic acid IUPAC Name: 3-[3-(2-aminoethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid Traditional Name: 3-[3-(2-aminoethylthio)-2,5-diketo-pyrrolidino]benzoic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=CC(=C2)C(=O)O)SCCN

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=CC(=C2)C(=O)O)SCCN

InChI

InChI=1S/C13H14N2O4S/c14-4-5-20-10-7-11(16)15(12(10)17)9-3-1-2-8(6-9)13(18)19/h1-3,6,10H,4-5,7,14H2,(H,18,19)