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

Systemtic Name: dimethyl 3-methyl-5-(propan-2-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-(isopropylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-(propan-2-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 5-(isopropylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C13H18N2O4S2 MolecularWeight: 330.42302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4S2/c1-6(2)14-13(20)15-10-8(11(16)18-4)7(3)9(21-10)12(17)19-5/h6H,1-5H3,(H2,14,15,20)