ethyl 2-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-(1,1-diethylprop-2-ynylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(3-ethylpent-1-yn-3-ylamino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(1,1-diethylprop-2-ynylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C20H28N2O2S2 MolecularWeight: 392.57852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=S)NC1=C(C2=C(S1)CCCCC2)C(=O)OCC

Isomeric SMILES

CCC(CC)(C#C)NC(=S)NC1=C(C2=C(S1)CCCCC2)C(=O)OCC

InChI

InChI=1S/C20H28N2O2S2/c1-5-20(6-2,7-3)22-19(25)21-17-16(18(23)24-8-4)14-12-10-9-11-13-15(14)26-17/h1H,6-13H2,2-4H3,(H2,21,22,25)