methyl 2-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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