methyl (2R)-4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl (2R)-4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2R)-4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2R)-4-[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2R)-4-(3-morpholin-4-ium-4-ylpropylthiocarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C18H26N3O4S+ MolecularWeight: 380.48174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C2=CC=CC=C2O1)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

COC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C18H25N3O4S/c1-23-17(22)16-13-21(14-5-2-3-6-15(14)25-16)18(26)19-7-4-8-20-9-11-24-12-10-20/h2-3,5-6,16H,4,7-13H2,1H3,(H,19,26)/p+1/t16-/m1/s1