methyl 4-ethyl-2-(heptylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-2-(heptylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-(heptylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[(heptylamino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-(heptylcarbamothioylamino)-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-(heptylthiocarbamoylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H28N2O2S2 MolecularWeight: 356.54642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NC1=C(C(=C(S1)C)CC)C(=O)OC

Isomeric SMILES

CCCCCCCNC(=S)NC1=C(C(=C(S1)C)CC)C(=O)OC

InChI

InChI=1S/C17H28N2O2S2/c1-5-7-8-9-10-11-18-17(22)19-15-14(16(20)21-4)13(6-2)12(3)23-15/h5-11H2,1-4H3,(H2,18,19,22)