ethyl (3S)-4-[2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl]thiomorpholin-4-ium-3-carboxylate

Systemtic Name: ethyl (3S)-4-[2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl]thiomorpholin-4-ium-3-carboxylate Openeye Name: ethyl (3S)-4-[2-(2-iodoanilino)-2-oxo-ethyl]thiomorpholin-4-ium-3-carboxylate CAS Name: (3S)-4-[2-(2-iodoanilino)-2-oxoethyl]-3-thiomorpholin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-4-[2-(2-iodoanilino)-2-oxoethyl]thiomorpholin-4-ium-3-carboxylate Traditional Name: (3S)-4-[2-(2-iodoanilino)-2-keto-ethyl]thiomorpholin-4-ium-3-carboxylic acid ethyl ester Formula: C15H20IN2O3S+ MolecularWeight: 435.30037

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCC[NH+]1CC(=O)NC2=CC=CC=C2I

Isomeric SMILES

CCOC(=O)[C@H]1CSCC[NH+]1CC(=O)NC2=CC=CC=C2I

InChI

InChI=1S/C15H19IN2O3S/c1-2-21-15(20)13-10-22-8-7-18(13)9-14(19)17-12-6-4-3-5-11(12)16/h3-6,13H,2,7-10H2,1H3,(H,17,19)/p+1/t13-/m1/s1