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

Systemtic Name: methyl 5-methyl-2-(pentylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-(pentylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(pentylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(pentylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(amylthiocarbamoylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C13H20N2O2S2 MolecularWeight: 300.4401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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