methyl 2-[[2-(1,3-benzodioxol-5-yloxy)ethanoylamino]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(1,3-benzodioxol-5-yloxy)ethanoylamino]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-(1,3-benzodioxol-5-yloxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H21N3O6S2 MolecularWeight: 451.51654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)COC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)COC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C19H21N3O6S2/c1-4-12-10(2)30-17(16(12)18(24)25-3)20-19(29)22-21-15(23)8-26-11-5-6-13-14(7-11)28-9-27-13/h5-7H,4,8-9H2,1-3H3,(H,21,23)(H2,20,22,29)