methyl 5-ethyl-2-(2-ethylhexylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-(2-ethylhexylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-(2-ethylhexylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(2-ethylhexylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-(2-ethylhexylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-ethyl-2-(2-ethylhexylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H28N2O2S2 MolecularWeight: 356.54642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NC1=C(C=C(S1)CC)C(=O)OC

Isomeric SMILES

CCCCC(CC)CNC(=S)NC1=C(C=C(S1)CC)C(=O)OC

InChI

InChI=1S/C17H28N2O2S2/c1-5-8-9-12(6-2)11-18-17(22)19-15-14(16(20)21-4)10-13(7-3)23-15/h10,12H,5-9,11H2,1-4H3,(H2,18,19,22)