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

Systemtic Name: methyl (2R)-4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2R)-4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2R)-4-[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2R)-4-(2-morpholin-4-ium-4-ylethylthiocarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C17H24N3O4S+ MolecularWeight: 366.45516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4S/c1-22-16(21)15-12-20(13-4-2-3-5-14(13)24-15)17(25)18-6-7-19-8-10-23-11-9-19/h2-5,15H,6-12H2,1H3,(H,18,25)/p+1/t15-/m1/s1