ethyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-(piperonylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=S)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=S)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C19H22N2O4S2/c1-4-13-11(3)27-17(16(13)18(22)23-5-2)21-19(26)20-9-12-6-7-14-15(8-12)25-10-24-14/h6-8H,4-5,9-10H2,1-3H3,(H2,20,21,26)