methyl (2S)-4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)thiomorpholine-2-carboxylate

Systemtic Name: methyl (2S)-4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)thiomorpholine-2-carboxylate Openeye Name: methyl (2S)-4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)thiomorpholine-2-carboxylate CAS Name: (2S)-4-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)thiomorpholine-2-carboxylate Traditional Name: (2S)-4-(piperonylthiocarbamoyl)thiomorpholine-2-carboxylic acid methyl ester Formula: C15H18N2O4S2 MolecularWeight: 354.44442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)[C@@H]1CN(CCS1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H18N2O4S2/c1-19-14(18)13-8-17(4-5-23-13)15(22)16-7-10-2-3-11-12(6-10)21-9-20-11/h2-3,6,13H,4-5,7-9H2,1H3,(H,16,22)/t13-/m0/s1