[2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: [2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: [2-(2-iodoanilino)-2-oxo-ethyl] 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid [2-(2-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-iodoanilino)-2-oxoethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid [2-(2-iodoanilino)-2-keto-ethyl] ester Formula: C21H21IN2O4S MolecularWeight: 524.37191

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC=C3I

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC=C3I

InChI

InChI=1S/C21H21IN2O4S/c22-16-8-2-3-9-17(16)23-19(25)13-28-21(27)15-7-1-4-10-18(15)29-14-20(26)24-11-5-6-12-24/h1-4,7-10H,5-6,11-14H2,(H,23,25)