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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCCC(C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCCC(C)C)C(=O)OC

InChI

InChI=1S/C14H22N2O2S2/c1-5-10-8-11(13(17)18-4)12(20-10)16-14(19)15-7-6-9(2)3/h8-9H,5-7H2,1-4H3,(H2,15,16,19)