methyl 4-[(3S)-2,5-bis(oxidanylidene)-3-thiomorpholin-4-ium-4-yl-pyrrolidin-1-yl]benzoate

Systemtic Name: methyl 4-[(3S)-2,5-bis(oxidanylidene)-3-thiomorpholin-4-ium-4-yl-pyrrolidin-1-yl]benzoate Openeye Name: methyl 4-[(3S)-2,5-dioxo-3-thiomorpholin-4-ium-4-yl-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3S)-2,5-dioxo-3-(4-thiomorpholin-4-iumyl)-1-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3S)-2,5-dioxo-3-thiomorpholin-4-ium-4-ylpyrrolidin-1-yl]benzoate Traditional Name: 4-[(3S)-2,5-diketo-3-thiomorpholin-4-ium-4-yl-pyrrolidino]benzoic acid methyl ester Formula: C16H19N2O4S+ MolecularWeight: 335.39806

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCSCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCSCC3

InChI

InChI=1S/C16H18N2O4S/c1-22-16(21)11-2-4-12(5-3-11)18-14(19)10-13(15(18)20)17-6-8-23-9-7-17/h2-5,13H,6-10H2,1H3/p+1/t13-/m0/s1