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

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(piperonylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O4S2/c1-4-22-17(21)15-10(2)11(3)26-16(15)20-18(25)19-8-12-5-6-13-14(7-12)24-9-23-13/h5-7H,4,8-9H2,1-3H3,(H2,19,20,25)