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

Systemtic Name: dimethyl 5-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C19H20N2O6S2 MolecularWeight: 436.5019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)C2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)C2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C19H20N2O6S2/c1-9-14(17(22)24-3)16(29-15(9)18(23)25-4)21-19(28)20-10(2)11-5-6-12-13(7-11)27-8-26-12/h5-7,10H,8H2,1-4H3,(H2,20,21,28)