2-[(3S)-1-ethyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoate

Systemtic Name: 2-[(3S)-1-ethyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoate Openeye Name: 2-[(3S)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoate CAS Name: 2-[[(3S)-1-ethyl-2,5-dioxo-3-pyrrolidinyl]thio]benzoate IUPAC Name: 2-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoate Traditional Name: 2-[[(3S)-1-ethyl-2,5-diketo-pyrrolidin-3-yl]thio]benzoate Formula: C13H12NO4S- MolecularWeight: 278.30368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC(C1=O)SC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CCN1C(=O)C[C@@H](C1=O)SC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C13H13NO4S/c1-2-14-11(15)7-10(12(14)16)19-9-6-4-3-5-8(9)13(17)18/h3-6,10H,2,7H2,1H3,(H,17,18)/p-1/t10-/m0/s1