diethyl 5-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(1,1-diethylprop-2-ynylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(3-ethylpent-1-yn-3-ylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(1,1-diethylprop-2-ynylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H26N2O4S2 MolecularWeight: 410.55074

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=S)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCC(CC)(C#C)NC(=S)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C19H26N2O4S2/c1-7-19(8-2,9-3)21-18(26)20-15-13(16(22)24-10-4)12(6)14(27-15)17(23)25-11-5/h1H,8-11H2,2-6H3,(H2,20,21,26)