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

Systemtic Name: ethyl 2-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(1,1-diethylprop-2-ynylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3-ethylpent-1-yn-3-ylamino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(1,1-diethylprop-2-ynylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H26N2O2S2 MolecularWeight: 414.58404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=S)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCC(CC)(C#C)NC(=S)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C22H26N2O2S2/c1-6-22(7-2,8-3)24-21(27)23-19-18(20(25)26-9-4)17(15(5)28-19)16-13-11-10-12-14-16/h1,10-14H,7-9H2,2-5H3,(H2,23,24,27)