methyl 2-(2-ethylhexylcarbamothioylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-ethylhexylcarbamothioylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-(2-ethylhexylcarbamothioylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(2-ethylhexylamino)-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-ethylhexylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(2-ethylhexylthiocarbamoylamino)-4,5-dimethyl-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)C)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2S2/c1-6-8-9-13(7-2)10-18-17(22)19-15-14(16(20)21-5)11(3)12(4)23-15/h13H,6-10H2,1-5H3,(H2,18,19,22)