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

Systemtic Name: ethyl 2-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(1,1-diethylprop-2-ynylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3-ethylpent-1-yn-3-ylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(1,1-diethylprop-2-ynylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H24N2O2S2 MolecularWeight: 400.55746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2S2/c1-5-21(6-2,7-3)23-20(26)22-18-16(19(24)25-8-4)14-17(27-18)15-12-10-9-11-13-15/h1,9-14H,6-8H2,2-4H3,(H2,22,23,26)