methyl 2-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(1,1-diethylprop-2-ynylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(3-ethylpent-1-yn-3-ylamino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-5-methylthiophene-3-carboxylate Traditional Name: 2-(1,1-diethylprop-2-ynylthiocarbamoylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C15H20N2O2S2 MolecularWeight: 324.4615

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O2S2/c1-6-15(7-2,8-3)17-14(20)16-12-11(13(18)19-5)9-10(4)21-12/h1,9H,7-8H2,2-5H3,(H2,16,17,20)