ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(2-methylprop-2-enylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(2-methylprop-2-enylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(2-methylallylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[[(2-methylprop-2-enylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(2-methylprop-2-enylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-2-(2-methylallylthiocarbamoylamino)-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=S)NCC(=C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=S)NCC(=C)C

InChI

InChI=1S/C21H24N2O4S2/c1-5-25-20(24)18-15(8-14-6-7-16-17(9-14)27-11-26-16)13(4)29-19(18)23-21(28)22-10-12(2)3/h6-7,9H,2,5,8,10-11H2,1,3-4H3,(H2,22,23,28)