methyl (3R)-3-(1,3-benzodioxol-5-yl)-3-(methylcarbamothioylamino)propanoate

Systemtic Name: methyl (3R)-3-(1,3-benzodioxol-5-yl)-3-(methylcarbamothioylamino)propanoate Openeye Name: methyl (3R)-3-(1,3-benzodioxol-5-yl)-3-(methylcarbamothioylamino)propanoate CAS Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-[[methylamino(sulfanylidene)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (3R)-3-(1,3-benzodioxol-5-yl)-3-(methylcarbamothioylamino)propanoate Traditional Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-(methylthiocarbamoylamino)propionic acid methyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC(CC(=O)OC)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CNC(=S)N[C@H](CC(=O)OC)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H16N2O4S/c1-14-13(20)15-9(6-12(16)17-2)8-3-4-10-11(5-8)19-7-18-10/h3-5,9H,6-7H2,1-2H3,(H2,14,15,20)/t9-/m1/s1