methyl (2R)-4-(3-methylsulfanylpropylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl (2R)-4-(3-methylsulfanylpropylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2R)-4-(3-methylsulfanylpropylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2R)-4-[[3-(methylthio)propylamino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(3-methylsulfanylpropylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2R)-4-[3-(methylthio)propylthiocarbamoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C15H20N2O3S2 MolecularWeight: 340.4609

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C2=CC=CC=C2O1)C(=S)NCCCSC

Isomeric SMILES

COC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=S)NCCCSC

InChI

InChI=1S/C15H20N2O3S2/c1-19-14(18)13-10-17(15(21)16-8-5-9-22-2)11-6-3-4-7-12(11)20-13/h3-4,6-7,13H,5,8-10H2,1-2H3,(H,16,21)/t13-/m1/s1