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

Systemtic Name: methyl 5-ethyl-2-(pentylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-(pentylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(pentylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-(pentylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(amylthiocarbamoylamino)-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C14H22N2O2S2 MolecularWeight: 314.46668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O2S2/c1-4-6-7-8-15-14(19)16-12-11(13(17)18-3)9-10(5-2)20-12/h9H,4-8H2,1-3H3,(H2,15,16,19)