ethyl 2-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(1,1-diethylprop-2-ynylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3-ethylpent-1-yn-3-ylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(1,1-diethylprop-2-ynylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H26N2O2S2 MolecularWeight: 378.55194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

Isomeric SMILES

CCC(CC)(C#C)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

InChI

InChI=1S/C19H26N2O2S2/c1-5-19(6-2,7-3)21-18(24)20-16-15(17(22)23-8-4)13-11-9-10-12-14(13)25-16/h1H,6-12H2,2-4H3,(H2,20,21,24)