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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(propan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-(isopropylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(propan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(isopropylthiocarbamoylamino)-5-methyl-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S2/c1-5-24-19(23)17-14(8-13-6-7-15-16(9-13)26-10-25-15)12(4)28-18(17)22-20(27)21-11(2)3/h6-7,9,11H,5,8,10H2,1-4H3,(H2,21,22,27)