methyl 4-ethyl-2-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-2-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(1,1-diethylprop-2-ynylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[(3-ethylpent-1-yn-3-ylamino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-5-methylthiophene-3-carboxylate Traditional Name: 2-(1,1-diethylprop-2-ynylthiocarbamoylamino)-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H24N2O2S2 MolecularWeight: 352.51466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC(CC)(CC)C#C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC(CC)(CC)C#C)C

InChI

InChI=1S/C17H24N2O2S2/c1-7-12-11(5)23-14(13(12)15(20)21-6)18-16(22)19-17(8-2,9-3)10-4/h2H,7,9-10H2,1,3-6H3,(H2,18,19,22)