methyl (2R)-4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl (2R)-4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2R)-4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2R)-4-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2R)-4-(piperonylthiocarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C19H18N2O5S MolecularWeight: 386.42162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C2=CC=CC=C2O1)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18N2O5S/c1-23-18(22)17-10-21(13-4-2-3-5-14(13)26-17)19(27)20-9-12-6-7-15-16(8-12)25-11-24-15/h2-8,17H,9-11H2,1H3,(H,20,27)/t17-/m1/s1