dimethyl 3-methyl-5-(2-methylpropylcarbamothioylamino)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-(2-methylpropylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-(isobutylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(2-methylpropylamino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-(2-methylpropylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 5-(isobutylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C14H20N2O4S2 MolecularWeight: 344.4496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC(C)C)C(=O)OC

InChI

InChI=1S/C14H20N2O4S2/c1-7(2)6-15-14(21)16-11-9(12(17)19-4)8(3)10(22-11)13(18)20-5/h7H,6H2,1-5H3,(H2,15,16,21)