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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-(ethylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-(ethylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[[ethylamino(sulfanylidene)methyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-(ethylcarbamothioylamino)-5-methylthiophene-3-carboxylate Traditional Name: 2-(ethylthiocarbamoylamino)-5-methyl-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=C(C(=C(S1)C)CC2=CC3=C(C=C2)OCO3)C(=O)OCC

Isomeric SMILES

CCNC(=S)NC1=C(C(=C(S1)C)CC2=CC3=C(C=C2)OCO3)C(=O)OCC

InChI

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