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

Systemtic Name: methyl 5-ethyl-2-(3-ethylpent-1-yn-3-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 2-(1,1-diethylprop-2-ynylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(3-ethylpent-1-yn-3-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-(3-ethylpent-1-yn-3-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(1,1-diethylprop-2-ynylthiocarbamoylamino)-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H22N2O2S2 MolecularWeight: 338.48808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC(CC)(CC)C#C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC(CC)(CC)C#C)C(=O)OC

InChI

InChI=1S/C16H22N2O2S2/c1-6-11-10-12(14(19)20-5)13(22-11)17-15(21)18-16(7-2,8-3)9-4/h2,10H,6,8-9H2,1,3-5H3,(H2,17,18,21)