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

Systemtic Name: methyl 2-(butylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-(butylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[butylamino(sulfanylidene)methyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(butylcarbamothioylamino)-5-ethylthiophene-3-carboxylate Traditional Name: 2-(butylthiocarbamoylamino)-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C13H20N2O2S2 MolecularWeight: 300.4401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S2/c1-4-6-7-14-13(18)15-11-10(12(16)17-3)8-9(5-2)19-11/h8H,4-7H2,1-3H3,(H2,14,15,18)