methyl (2R)-4-[[5-bromanyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[[5-bromanyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[(5-bromo-2,3-dioxo-indolin-1-yl)methyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(5-bromo-2,3-dioxo-1-indolyl)methyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(5-bromo-2,3-dioxoindol-1-yl)methyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[(5-bromo-2,3-diketo-indolin-1-yl)methyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C15H15BrN2O4S MolecularWeight: 399.2596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)CN2C3=C(C=C(C=C3)Br)C(=O)C2=O

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)CN2C3=C(C=C(C=C3)Br)C(=O)C2=O

InChI

InChI=1S/C15H15BrN2O4S/c1-22-15(21)12-7-17(4-5-23-12)8-18-11-3-2-9(16)6-10(11)13(19)14(18)20/h2-3,6,12H,4-5,7-8H2,1H3/t12-/m1/s1