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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(methylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(methylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[[methylamino(sulfanylidene)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(methylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-2-(methylthiocarbamoylamino)-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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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

Isomeric SMILES

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

InChI

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