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

Systemtic Name: 2-[2,5-bis(oxidanylidene)-1-phenethyl-pyrrolidin-3-yl]sulfanylbenzoate Openeye Name: 2-(2,5-dioxo-1-phenethyl-pyrrolidin-3-yl)sulfanylbenzoate CAS Name: 2-[(2,5-dioxo-1-phenethyl-3-pyrrolidinyl)thio]benzoate IUPAC Name: 2-(2,5-dioxo-1-phenethylpyrrolidin-3-yl)sulfanylbenzoate Traditional Name: 2-[(2,5-diketo-1-phenethyl-pyrrolidin-3-yl)thio]benzoate Formula: C19H16NO4S- MolecularWeight: 354.39964

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)CCC2=CC=CC=C2)SC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1C(C(=O)N(C1=O)CCC2=CC=CC=C2)SC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C19H17NO4S/c21-17-12-16(25-15-9-5-4-8-14(15)19(23)24)18(22)20(17)11-10-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,23,24)/p-1