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

Systemtic Name: diethyl 5-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[1-(1,3-benzodioxol-5-yl)ethylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[1-(1,3-benzodioxol-5-yl)ethylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H24N2O6S2/c1-5-26-19(24)16-11(3)17(20(25)27-6-2)31-18(16)23-21(30)22-12(4)13-7-8-14-15(9-13)29-10-28-14/h7-9,12H,5-6,10H2,1-4H3,(H2,22,23,30)