methyl 4-ethyl-2-(heptan-2-ylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-2-(heptan-2-ylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-(1-methylhexylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[(heptan-2-ylamino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-(heptan-2-ylcarbamothioylamino)-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-(1-methylhexylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H28N2O2S2 MolecularWeight: 356.54642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=S)NC1=C(C(=C(S1)C)CC)C(=O)OC

Isomeric SMILES

CCCCCC(C)NC(=S)NC1=C(C(=C(S1)C)CC)C(=O)OC

InChI

InChI=1S/C17H28N2O2S2/c1-6-8-9-10-11(3)18-17(22)19-15-14(16(20)21-5)13(7-2)12(4)23-15/h11H,6-10H2,1-5H3,(H2,18,19,22)