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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-(piperonylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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