methyl (2R)-4-[[7-bromanyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]thiomorpholin-4-ium-2-carboxylate

Systemtic Name: methyl (2R)-4-[[7-bromanyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]thiomorpholin-4-ium-2-carboxylate Openeye Name: methyl (2R)-4-[(7-bromo-2,3-dioxo-indolin-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate CAS Name: (2R)-4-[(7-bromo-2,3-dioxo-1-indolyl)methyl]-2-thiomorpholin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(7-bromo-2,3-dioxoindol-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate Traditional Name: (2R)-4-[(7-bromo-2,3-diketo-indolin-1-yl)methyl]thiomorpholin-4-ium-2-carboxylic acid methyl ester Formula: C15H16BrN2O4S+ MolecularWeight: 400.26754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C[NH+](CCS1)CN2C3=C(C=CC=C3Br)C(=O)C2=O

Isomeric SMILES

COC(=O)[C@H]1C[NH+](CCS1)CN2C3=C(C=CC=C3Br)C(=O)C2=O

InChI

InChI=1S/C15H15BrN2O4S/c1-22-15(21)11-7-17(5-6-23-11)8-18-12-9(13(19)14(18)20)3-2-4-10(12)16/h2-4,11H,5-8H2,1H3/p+1/t11-/m1/s1