methyl (2R)-4-[[2,3-bis(oxidanylidene)indol-1-yl]methyl]thiomorpholin-4-ium-2-carboxylate

Systemtic Name: methyl (2R)-4-[[2,3-bis(oxidanylidene)indol-1-yl]methyl]thiomorpholin-4-ium-2-carboxylate Openeye Name: methyl (2R)-4-[(2,3-dioxoindolin-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate CAS Name: (2R)-4-[(2,3-dioxo-1-indolyl)methyl]-2-thiomorpholin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(2,3-dioxoindol-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate Traditional Name: (2R)-4-[(2,3-diketoindolin-1-yl)methyl]thiomorpholin-4-ium-2-carboxylic acid methyl ester Formula: C15H17N2O4S+ MolecularWeight: 321.37148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C[NH+](CCS1)CN2C3=CC=CC=C3C(=O)C2=O

Isomeric SMILES

COC(=O)[C@H]1C[NH+](CCS1)CN2C3=CC=CC=C3C(=O)C2=O

InChI

InChI=1S/C15H16N2O4S/c1-21-15(20)12-8-16(6-7-22-12)9-17-11-5-3-2-4-10(11)13(18)14(17)19/h2-5,12H,6-9H2,1H3/p+1/t12-/m1/s1