methyl 5-ethyl-2-(propan-2-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-(propan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-(isopropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-(propan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-ethyl-2-(isopropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C12H18N2O2S2 MolecularWeight: 286.41352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2S2/c1-5-8-6-9(11(15)16-4)10(18-8)14-12(17)13-7(2)3/h6-7H,5H2,1-4H3,(H2,13,14,17)