ethyl (3S)-4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]thiomorpholin-4-ium-3-carboxylate

Systemtic Name: ethyl (3S)-4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]thiomorpholin-4-ium-3-carboxylate Openeye Name: ethyl (3S)-4-[(1,3-dioxoisoindolin-2-yl)methyl]thiomorpholin-4-ium-3-carboxylate CAS Name: (3S)-4-[(1,3-dioxo-2-isoindolyl)methyl]-3-thiomorpholin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-4-[(1,3-dioxoisoindol-2-yl)methyl]thiomorpholin-4-ium-3-carboxylate Traditional Name: (3S)-4-(phthalimidomethyl)thiomorpholin-4-ium-3-carboxylic acid ethyl ester Formula: C16H19N2O4S+ MolecularWeight: 335.39806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)[C@H]1CSCC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H18N2O4S/c1-2-22-16(21)13-9-23-8-7-17(13)10-18-14(19)11-5-3-4-6-12(11)15(18)20/h3-6,13H,2,7-10H2,1H3/p+1/t13-/m1/s1