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

Systemtic Name: methyl 2-(2-ethylhexylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(2-ethylhexylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(2-ethylhexylamino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-ethylhexylcarbamothioylamino)-5-methylthiophene-3-carboxylate Traditional Name: 2-(2-ethylhexylthiocarbamoylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H26N2O2S2 MolecularWeight: 342.51984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2S2/c1-5-7-8-12(6-2)10-17-16(21)18-14-13(15(19)20-4)9-11(3)22-14/h9,12H,5-8,10H2,1-4H3,(H2,17,18,21)